data_[Co1P3Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.3167]
_cell_length_b [3.7366]
_cell_length_c [4.7085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CoP3Ir]
_chemical_formula_sum '[Co1 P3 Ir1]'
_cell_volume [71.9124]
_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  0.8104  0.0000  0.1907  1
  P  P1  1  0.3804  0.0000  0.4103  1
  P  P2  1  0.5711  0.5000  0.0271  1
  P  P3  1  0.8953  0.0000  0.7448  1
  Ir  Ir4  1  0.1469  0.5000  0.5931  1
]