data_[Pm12Er20In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.7789]
_cell_length_b [15.6018]
_cell_length_c [6.3763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pm3Er5In2]
_chemical_formula_sum '[Pm12 Er20 In8]'
_cell_volume [1271.2594]
_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  8  0.1159  0.2374  0.0000  1
  Pm  Pm1  4  0.0000  0.0000  0.2500  1
  Er  Er2  8  0.1234  0.3372  0.5000  1
  Er  Er3  8  0.2468  0.5000  0.2500  1
  Er  Er4  4  0.0000  0.5000  0.2500  1
  In  In5  8  0.1383  0.1474  0.5000  1
]