data_[Pm4Y12Tm20]
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 [C2/m]
_cell_length_a [15.1795]
_cell_length_b [11.2181]
_cell_length_c [10.0116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.7544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmY3Tm5]
_chemical_formula_sum '[Pm4 Y12 Tm20]'
_cell_volume [1291.4304]
_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  0.2495  0.5000  0.5982  1
  Y  Y1  4  0.0106  0.5000  0.8123  1
  Y  Y2  4  0.0232  0.0000  0.3666  1
  Y  Y3  2  0.0000  0.0000  0.0000  1
  Y  Y4  2  0.0000  0.5000  0.5000  1
  Tm  Tm5  8  0.1546  0.2495  0.7569  1
  Tm  Tm6  4  0.0000  0.2614  0.0000  1
  Tm  Tm7  4  0.2182  0.5000  0.2269  1
  Tm  Tm8  4  0.2222  0.0000  0.0360  1
]