data_[Ce3Pm1Th12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pm  1.1300  1.8500  1.1100
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9923]
_cell_length_b [4.9923]
_cell_length_c [20.0645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ce3PmTh12]
_chemical_formula_sum '[Ce3 Pm1 Th12]'
_cell_volume [500.0610]
_cell_formula_units_Z [1]
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
[
  Ce  Ce0  2  0.0000  0.0000  0.2522  1
  Ce  Ce1  1  0.0000  0.0000  0.5000  1
  Pm  Pm2  1  0.0000  0.0000  0.0000  1
  Th  Th3  4  0.0000  0.5000  0.1289  1
  Th  Th4  4  0.0000  0.5000  0.3765  1
  Th  Th5  2  0.5000  0.5000  0.2539  1
  Th  Th6  1  0.5000  0.5000  0.0000  1
  Th  Th7  1  0.5000  0.5000  0.5000  1
]