data_CoP2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   145.16
_cell_angle_beta   117.91
_cell_angle_gamma   73.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoP2Ir
_chemical_formula_sum   'Co1 P2 Ir1'
_cell_volume   52.64
_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  0.0  0.0  0.0  1.0
  P  P2  1  0.42  0.0  0.77  1.0
  P  P3  1  0.0  0.44  0.03  1.0
  Ir  Ir1  1  0.0  0.0  0.8  1.0

data_CoP2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   62.09
_cell_angle_beta   72.58
_cell_angle_gamma   72.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoP2Ir
_chemical_formula_sum   'Co1 P2 Ir1'
_cell_volume   52.64
_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  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.58  0.77  1.0
  P  P2  1  0.44  0.0  0.59  1.0
  Ir  Ir3  1  0.0  -0.0  0.8  1.0

Co P P Ir