data_[Ce5Pm1Th4]
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 [3.4884]
_cell_length_b [3.4884]
_cell_length_c [24.5476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ce5PmTh4]
_chemical_formula_sum '[Ce5 Pm1 Th4]'
_cell_volume [298.7160]
_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  0.5000  0.5000  0.1065  1
  Ce  Ce1  2  0.5000  0.5000  0.3026  1
  Ce  Ce2  1  0.5000  0.5000  0.5000  1
  Pm  Pm3  1  0.0000  0.0000  0.0000  1
  Th  Th4  2  0.0000  0.0000  0.2040  1
  Th  Th5  2  0.0000  0.0000  0.4014  1
]