data_[Pm12Y20Tm8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.9608]
_cell_length_b [16.9444]
_cell_length_c [6.3126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pm3Y5Tm2]
_chemical_formula_sum '[Pm12 Y20 Tm8]'
_cell_volume [1386.3235]
_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  0.1597  0.2472  0.0000  1
  Pm  Pm1  4  0.0000  0.0000  0.2500  1
  Y  Y2  8  0.0973  0.3425  0.5000  1
  Y  Y3  8  0.2492  0.5000  0.2500  1
  Y  Y4  4  0.0000  0.5000  0.2500  1
  Tm  Tm5  8  0.0997  0.1556  0.5000  1
]