# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26463149
_cell_length_b   5.26463049
_cell_length_c   4.26897308
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999993
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr2 Ni6'
_cell_volume   102.46839177
_cell_formula_units_Z   2
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  0.66666700  0.33333300  0.75000000  1.0
  Zr  Zr1  1  0.33333300  0.66666700  0.25000000  1.0
  Ni  Ni2  1  0.15586772  0.31173745  0.75000000  1.0
  Ni  Ni3  1  0.84413228  0.15586772  0.25000000  1.0
  Ni  Ni4  1  0.84413228  0.68826255  0.25000000  1.0
  Ni  Ni5  1  0.15586772  0.84413228  0.75000000  1.0
  Ni  Ni6  1  0.68826255  0.84413228  0.75000000  1.0
  Ni  Ni7  1  0.31173745  0.15586772  0.25000000  1.0