# generated using pymatgen
data_Zr4Ni3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19905770
_cell_length_b   5.21532814
_cell_length_c   6.25581654
_cell_angle_alpha   89.87517339
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4Ni3Ir
_chemical_formula_sum   'Zr4 Ni3 Ir1'
_cell_volume   136.99870266
_cell_formula_units_Z   1
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  0.75000000  0.85770336  0.82492935  1.0
  Zr  Zr1  1  0.25000000  0.36335402  0.68101488  1.0
  Zr  Zr2  1  0.75000000  0.64059256  0.31439752  1.0
  Zr  Zr3  1  0.25000000  0.14147370  0.17721612  1.0
  Ni  Ni4  1  0.25000000  0.84251164  0.55032119  1.0
  Ni  Ni5  1  0.25000000  0.64354737  0.03586793  1.0
  Ni  Ni6  1  0.75000000  0.35831025  0.95742717  1.0
  Ir  Ir7  1  0.75000000  0.15250509  0.45882684  1.0