data_[Mn2P2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [2.7706]
_cell_length_b [4.8144]
_cell_length_c [8.3575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [MnPIr2]
_chemical_formula_sum '[Mn2 P2 Ir4]'
_cell_volume [111.4753]
_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
[
  Mn  Mn0  2  0.0000  0.0000  0.5205  1
  P  P1  2  0.0000  0.5000  0.7420  1
  Ir  Ir2  2  0.0000  0.0000  0.9726  1
  Ir  Ir3  2  0.0000  0.5000  0.2649  1
]