# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54642307
_cell_length_b   6.54642307
_cell_length_c   5.22942932
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr8 Ni4'
_cell_volume   224.11061884
_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  0.83513800  0.66486200  0.50000000  1
  Zr  Zr1  1  0.16486200  0.66486200  0.00000000  1
  Zr  Zr2  1  0.16486200  0.33513800  0.50000000  1
  Zr  Zr3  1  0.83513800  0.33513800  0.00000000  1
  Zr  Zr4  1  0.33513800  0.16486200  0.00000000  1
  Zr  Zr5  1  0.66486200  0.16486200  0.50000000  1
  Zr  Zr6  1  0.66486200  0.83513800  0.00000000  1
  Zr  Zr7  1  0.33513800  0.83513800  0.50000000  1
  Ni  Ni8  1  0.50000000  0.50000000  0.25000000  1
  Ni  Ni9  1  0.00000000  0.00000000  0.25000000  1
  Ni  Ni10  1  0.00000000  0.00000000  0.75000000  1
  Ni  Ni11  1  0.50000000  0.50000000  0.75000000  1
