data_[Pm48Er8Th4]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [7.1284]
_cell_length_b [11.5858]
_cell_length_c [24.9752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [Pm12Er2Th]
_chemical_formula_sum '[Pm48 Er8 Th4]'
_cell_volume [2062.6411]
_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  0.0000  0.0016  0.9255  1
  Pm  Pm1  8  0.0000  0.0237  0.4400  1
  Pm  Pm2  8  0.2323  0.2500  0.5870  1
  Pm  Pm3  8  0.2489  0.2500  0.1269  1
  Pm  Pm4  8  0.2500  0.0000  0.2000  1
  Pm  Pm5  8  0.2500  0.0000  0.3249  1
  Er  Er6  4  0.0000  0.2500  0.2702  1
  Er  Er7  4  0.0000  0.2500  0.7337  1
  Th  Th8  4  0.0000  0.2500  0.0009  1
]