# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95422285
_cell_length_b   4.96138735
_cell_length_c   46.75900506
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni40
_cell_volume   995.347125217
_cell_formula_units_Z   40
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  0.988201  0.757510  0.285072  1
  Ni  Ni2  1  0.015413  0.993940  0.328417  1
  Ni  Ni3  1  0.988201  0.257510  0.285072  1
  Ni  Ni4  1  0.015413  0.493940  0.328417  1
  Ni  Ni5  1  0.510105  0.496688  0.321334  1
  Ni  Ni6  1  0.665228  0.669351  0.367979  1
  Ni  Ni7  1  0.510105  0.996688  0.321334  1
  Ni  Ni8  1  0.665228  0.169351  0.367979  1
  Ni  Ni9  1  0.175516  0.164088  0.370091  1
  Ni  Ni10  1  0.337445  0.333340  0.413068  1
  Ni  Ni11  1  0.175516  0.664088  0.370091  1
  Ni  Ni12  1  0.337445  0.833340  0.413068  1
  Ni  Ni13  1  0.834137  0.835047  0.412311  1
  Ni  Ni14  1  1.001314  1.001629  0.456123  1
  Ni  Ni15  1  0.834137  0.335047  0.412311  1
  Ni  Ni16  1  1.001314  0.501629  0.456123  1
  Ni  Ni17  1  0.502618  0.500954  0.456396  1
  Ni  Ni18  1  0.668615  0.668144  0.499903  1
  Ni  Ni19  1  0.502618  1.000954  0.456396  1
  Ni  Ni20  1  0.668615  0.168144  0.499903  1
  Ni  Ni21  1  0.167845  0.168544  0.499739  1
  Ni  Ni22  1  0.333842  0.335735  0.543246  1
  Ni  Ni23  1  0.167845  0.668544  0.499739  1
  Ni  Ni24  1  0.333842  0.835735  0.543246  1
  Ni  Ni25  1  0.835145  0.835060  0.543519  1
  Ni  Ni26  1  0.002322  1.001641  0.587332  1
  Ni  Ni27  1  0.835145  0.335060  0.543519  1
  Ni  Ni28  1  0.002322  0.501641  0.587332  1
  Ni  Ni29  1  0.499015  0.503348  0.586574  1
  Ni  Ni30  1  0.660943  0.672600  0.629551  1
  Ni  Ni31  1  0.499015  0.003348  0.586574  1
  Ni  Ni32  1  0.660943  0.172600  0.629551  1
  Ni  Ni33  1  0.171231  0.167337  0.631663  1
  Ni  Ni34  1  0.326354  0.340000  0.678309  1
  Ni  Ni35  1  0.171231  0.667337  0.631663  1
  Ni  Ni36  1  0.326354  0.840000  0.678309  1
  Ni  Ni37  1  0.821047  0.842748  0.671225  1
  Ni  Ni38  1  0.848258  0.079178  0.714570  1
  Ni  Ni39  1  0.821047  0.342748  0.671225  1
  Ni  Ni40  1  0.848258  0.579178  0.714570  1
