data_Co2PIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   4.33
_cell_angle_alpha   129.55
_cell_angle_beta   129.55
_cell_angle_gamma   74.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PIr
_chemical_formula_sum   'Co2 P1 Ir1'
_cell_volume   47.03
_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
  Co  Co0  1  0.84  0.0  0.73  1.0
  Co  Co1  1  0.0  0.0  0.45  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.84  0.73  1.0

data_Co2PIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   4.33
_cell_angle_alpha   115.22
_cell_angle_beta   115.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PIr
_chemical_formula_sum   'Co2 P1 Ir1'
_cell_volume   47.03
_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
  Co  Co0  1  0.45  0.45  0.45  1.0
  Co  Co1  1  0.73  0.88  0.88  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.88  0.73  0.88  1.0

Co Co P Ir