# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.30568916
_cell_length_b   9.96842571
_cell_length_c   4.08555919
_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   'Zr4 Ni4'
_cell_volume   134.62945789
_cell_formula_units_Z   4
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  Zr0  1  0.50000000  0.13943400  0.75000000  1
  Zr  Zr1  1  0.00000000  0.36056600  0.25000000  1
  Zr  Zr2  1  0.00000000  0.63943400  0.75000000  1
  Zr  Zr3  1  0.50000000  0.86056600  0.25000000  1
  Ni  Ni4  1  0.50000000  0.41725400  0.75000000  1
  Ni  Ni5  1  0.00000000  0.08274600  0.25000000  1
  Ni  Ni6  1  0.00000000  0.91725400  0.75000000  1
  Ni  Ni7  1  0.50000000  0.58274600  0.25000000  1
