data_[Pm2Er24Th10]
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 [C2/m]
_cell_length_a [18.4111]
_cell_length_b [10.5672]
_cell_length_c [6.1340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmEr12Th5]
_chemical_formula_sum '[Pm2 Er24 Th10]'
_cell_volume [1125.7696]
_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  2  0.0000  0.0000  0.5000  1
  Er  Er1  8  0.1665  0.3341  0.0005  1
  Er  Er2  8  0.1679  0.1661  0.4990  1
  Er  Er3  4  0.0000  0.1669  0.0000  1
  Er  Er4  4  0.0000  0.3367  0.5000  1
  Th  Th5  4  0.1666  0.5000  0.5011  1
  Th  Th6  4  0.1680  0.0000  0.0067  1
  Th  Th7  2  0.0000  0.5000  0.0000  1
]