# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84059239
_cell_length_b   3.84224504
_cell_length_c   46.84681592
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr24 Ni24'
_cell_volume   1771.2765766
_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
  Zr  Zr1  1  0.638262  0.755365  0.324921  1
  Zr  Zr2  1  0.861496  0.255365  0.288576  1
  Zr  Zr3  1  0.137497  0.755365  0.288576  1
  Zr  Zr4  1  0.360732  0.255365  0.324921  1
  Zr  Zr5  1  0.637240  0.755365  0.401903  1
  Zr  Zr6  1  0.861729  0.255365  0.363324  1
  Zr  Zr7  1  0.137265  0.755365  0.363324  1
  Zr  Zr8  1  0.361754  0.255365  0.401903  1
  Zr  Zr9  1  0.637430  0.755365  0.479091  1
  Zr  Zr10  1  0.861151  0.255365  0.440589  1
  Zr  Zr11  1  0.137842  0.755365  0.440589  1
  Zr  Zr12  1  0.361563  0.255365  0.479091  1
  Zr  Zr13  1  0.637842  0.755365  0.556184  1
  Zr  Zr14  1  0.861563  0.255365  0.517682  1
  Zr  Zr15  1  0.137430  0.755365  0.517682  1
  Zr  Zr16  1  0.361151  0.255365  0.556184  1
  Zr  Zr17  1  0.637265  0.755365  0.633449  1
  Zr  Zr18  1  0.861754  0.255365  0.594869  1
  Zr  Zr19  1  0.137240  0.755365  0.594869  1
  Zr  Zr20  1  0.361729  0.255365  0.633449  1
  Zr  Zr21  1  0.637497  0.755365  0.708197  1
  Zr  Zr22  1  0.860732  0.255365  0.671852  1
  Zr  Zr23  1  0.138262  0.755365  0.671852  1
  Zr  Zr24  1  0.361496  0.255365  0.708197  1
  Ni  Ni25  1  0.920041  0.755365  0.324923  1
  Ni  Ni26  1  0.579900  0.255365  0.286754  1
  Ni  Ni27  1  0.419094  0.755365  0.286754  1
  Ni  Ni28  1  0.078953  0.255365  0.324923  1
  Ni  Ni29  1  0.920026  0.755365  0.402258  1
  Ni  Ni30  1  0.579062  0.255365  0.363014  1
  Ni  Ni31  1  0.419932  0.755365  0.363014  1
  Ni  Ni32  1  0.078967  0.255365  0.402258  1
  Ni  Ni33  1  0.920081  0.755365  0.479080  1
  Ni  Ni34  1  0.578879  0.255365  0.440521  1
  Ni  Ni35  1  0.420115  0.755365  0.440521  1
  Ni  Ni36  1  0.078913  0.255365  0.479080  1
  Ni  Ni37  1  0.920115  0.755365  0.556251  1
  Ni  Ni38  1  0.578913  0.255365  0.517692  1
  Ni  Ni39  1  0.420081  0.755365  0.517692  1
  Ni  Ni40  1  0.078879  0.255365  0.556251  1
  Ni  Ni41  1  0.919932  0.755365  0.633759  1
  Ni  Ni42  1  0.578967  0.255365  0.594515  1
  Ni  Ni43  1  0.420026  0.755365  0.594515  1
  Ni  Ni44  1  0.079062  0.255365  0.633759  1
  Ni  Ni45  1  0.919094  0.755365  0.710019  1
  Ni  Ni46  1  0.578953  0.255365  0.671849  1
  Ni  Ni47  1  0.420041  0.755365  0.671849  1
  Ni  Ni48  1  0.079900  0.255365  0.710019  1
