data_[Pm12Cu2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7565]
_cell_length_b [7.3403]
_cell_length_c [11.8796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pm6CuIr2]
_chemical_formula_sum '[Pm12 Cu2 Ir4]'
_cell_volume [508.3122]
_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  4  0.0928  0.6809  0.9316  1
  Pm  Pm1  4  0.2373  0.1658  0.9169  1
  Pm  Pm2  4  0.4075  0.5474  0.7408  1
  Cu  Cu3  2  0.5000  0.0000  0.5000  1
  Ir  Ir4  4  0.1739  0.6189  0.2257  1
]