data_[Pm2Sm2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2117]
_cell_length_b [4.0551]
_cell_length_c [10.8013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [PmSmIr2]
_chemical_formula_sum '[Pm2 Sm2 Ir4]'
_cell_volume [184.4746]
_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
[
  Pm  Pm0  2  0.5000  0.0000  0.9755  1
  Sm  Sm1  2  0.0000  0.0000  0.2674  1
  Ir  Ir2  2  0.0000  0.0000  0.5456  1
  Ir  Ir3  2  0.5000  0.0000  0.6985  1
]