# generated using pymatgen
data_CePIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04149166
_cell_length_b   4.04127422
_cell_length_c   7.70182978
_cell_angle_alpha   105.20845743
_cell_angle_beta   105.21085679
_cell_angle_gamma   89.99999952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CePIr
_chemical_formula_sum   'Ce2 P2 Ir2'
_cell_volume   116.81374704
_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
  Ce  Ce0  1  0.74997892  0.24998422  0.49995784  1.0
  Ce  Ce1  1  0.99987297  0.99984960  0.99974593  1.0
  P  P2  1  0.33026608  0.83028742  0.66053415  1.0
  P  P3  1  0.58024153  0.58008070  0.16048405  1.0
  Ir  Ir4  1  0.41424782  0.41426069  0.82849563  1.0
  Ir  Ir5  1  0.16433169  0.66447636  0.32866239  1.0