# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93614754
_cell_length_b   4.94099578
_cell_length_c   55.03091688
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni72 H24'
_cell_volume   1885.99072981
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni1  1  0.070622  1.142876  0.236559  1
  Ni  Ni2  1  0.702953  1.142876  0.236559  1
  Ni  Ni3  1  0.386788  0.392876  0.234462  1
  Ni  Ni4  1  0.566583  0.392876  0.273134  1
  Ni  Ni5  1  0.206992  0.392876  0.273134  1
  Ni  Ni6  1  0.886788  0.642876  0.273032  1
  Ni  Ni7  1  0.566583  0.892876  0.273134  1
  Ni  Ni8  1  0.206992  0.892876  0.273134  1
  Ni  Ni9  1  0.886788  1.142876  0.273032  1
  Ni  Ni10  1  0.070622  0.642876  0.236559  1
  Ni  Ni11  1  0.702953  0.642876  0.236559  1
  Ni  Ni12  1  0.386788  0.892876  0.234462  1
  Ni  Ni13  1  0.070517  0.642876  0.311648  1
  Ni  Ni14  1  0.703059  0.642876  0.311648  1
  Ni  Ni15  1  0.386788  0.892876  0.311872  1
  Ni  Ni16  1  0.569004  0.892876  0.350606  1
  Ni  Ni17  1  0.204571  0.892876  0.350606  1
  Ni  Ni18  1  0.886788  1.142876  0.350399  1
  Ni  Ni19  1  0.569004  0.392876  0.350606  1
  Ni  Ni20  1  0.204571  0.392876  0.350606  1
  Ni  Ni21  1  0.886788  0.642876  0.350399  1
  Ni  Ni22  1  0.070517  1.142876  0.311648  1
  Ni  Ni23  1  0.703059  1.142876  0.311648  1
  Ni  Ni24  1  0.386788  0.392876  0.311872  1
  Ni  Ni25  1  0.068780  1.142876  0.389509  1
  Ni  Ni26  1  0.704795  1.142876  0.389509  1
  Ni  Ni27  1  0.386788  0.392876  0.389414  1
  Ni  Ni28  1  0.567564  0.392876  0.428491  1
  Ni  Ni29  1  0.206011  0.392876  0.428491  1
  Ni  Ni30  1  0.886788  0.642876  0.428557  1
  Ni  Ni31  1  0.567564  0.892876  0.428491  1
  Ni  Ni32  1  0.206011  0.892876  0.428491  1
  Ni  Ni33  1  0.886788  1.142876  0.428557  1
  Ni  Ni34  1  0.068780  0.642876  0.389509  1
  Ni  Ni35  1  0.704795  0.642876  0.389509  1
  Ni  Ni36  1  0.386788  0.892876  0.389414  1
  Ni  Ni37  1  0.067564  0.642876  0.467787  1
  Ni  Ni38  1  0.706011  0.642876  0.467787  1
  Ni  Ni39  1  0.386788  0.892876  0.467720  1
  Ni  Ni40  1  0.568780  0.892876  0.506768  1
  Ni  Ni41  1  0.204795  0.892876  0.506768  1
  Ni  Ni42  1  0.886788  1.142876  0.506864  1
  Ni  Ni43  1  0.568780  0.392876  0.506768  1
  Ni  Ni44  1  0.204795  0.392876  0.506768  1
  Ni  Ni45  1  0.886788  0.642876  0.506864  1
  Ni  Ni46  1  0.067564  1.142876  0.467787  1
  Ni  Ni47  1  0.706011  1.142876  0.467787  1
  Ni  Ni48  1  0.386788  0.392876  0.467720  1
  Ni  Ni49  1  0.069004  1.142876  0.545671  1
  Ni  Ni50  1  0.704571  1.142876  0.545671  1
  Ni  Ni51  1  0.386788  0.392876  0.545878  1
  Ni  Ni52  1  0.570517  0.392876  0.584629  1
  Ni  Ni53  1  0.203059  0.392876  0.584629  1
  Ni  Ni54  1  0.886788  0.642876  0.584405  1
  Ni  Ni55  1  0.570517  0.892876  0.584629  1
  Ni  Ni56  1  0.203059  0.892876  0.584629  1
  Ni  Ni57  1  0.886788  1.142876  0.584405  1
  Ni  Ni58  1  0.069004  0.642876  0.545671  1
  Ni  Ni59  1  0.704571  0.642876  0.545671  1
  Ni  Ni60  1  0.386788  0.892876  0.545878  1
  Ni  Ni61  1  0.066583  0.642876  0.623143  1
  Ni  Ni62  1  0.706992  0.642876  0.623143  1
  Ni  Ni63  1  0.386788  0.892876  0.623245  1
  Ni  Ni64  1  0.570622  0.892876  0.659719  1
  Ni  Ni65  1  0.202953  0.892876  0.659719  1
  Ni  Ni66  1  0.886788  1.142876  0.661816  1
  Ni  Ni67  1  0.570622  0.392876  0.659719  1
  Ni  Ni68  1  0.202953  0.392876  0.659719  1
  Ni  Ni69  1  0.886788  0.642876  0.661816  1
  Ni  Ni70  1  0.066583  1.142876  0.623143  1
  Ni  Ni71  1  0.706992  1.142876  0.623143  1
  Ni  Ni72  1  0.386788  0.392876  0.623245  1
  H  H73  1  -0.113212  0.392876  0.240641  1
  H  H74  1  0.386788  0.642876  0.256023  1
  H  H75  1  0.386788  1.142876  0.256023  1
  H  H76  1  -0.113212  0.892876  0.240641  1
  H  H77  1  0.886788  0.892876  0.323849  1
  H  H78  1  0.386788  1.142876  0.362969  1
  H  H79  1  0.386788  0.642876  0.362969  1
  H  H80  1  0.886788  0.392876  0.323849  1
  H  H81  1  0.886788  0.392876  0.401954  1
  H  H82  1  0.386788  0.642876  0.441084  1
  H  H83  1  0.386788  1.142876  0.441084  1
  H  H84  1  0.886788  0.892876  0.401954  1
  H  H85  1  0.886788  0.892876  0.455193  1
  H  H86  1  0.386788  1.142876  0.494323  1
  H  H87  1  0.386788  0.642876  0.494323  1
  H  H88  1  0.886788  0.392876  0.455193  1
  H  H89  1  0.886788  0.392876  0.533309  1
  H  H90  1  0.386788  0.642876  0.572428  1
  H  H91  1  0.386788  1.142876  0.572428  1
  H  H92  1  0.886788  0.892876  0.533309  1
  H  H93  1  -0.113212  0.892876  0.640254  1
  H  H94  1  0.386788  1.142876  0.655637  1
  H  H95  1  0.386788  0.642876  0.655637  1
  H  H96  1  -0.113212  0.392876  0.640254  1
