data_[Pm12In4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.6004]
_cell_length_b [6.9603]
_cell_length_c [10.1335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pm3InIr]
_chemical_formula_sum '[Pm12 In4 Ir4]'
_cell_volume [614.3129]
_cell_formula_units_Z [4]
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
[
  Pm  Pm0  4  0.1048  0.0709  0.3642  1
  Pm  Pm1  4  0.2005  0.5791  0.5516  1
  Pm  Pm2  4  0.3749  0.0823  0.7629  1
  In  In3  4  0.4331  0.6805  0.9316  1
  Ir  Ir4  4  0.0817  0.2353  0.6114  1
]