data_[Ce4Pm4Th8As16]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.4833]
_cell_length_b [8.4918]
_cell_length_c [12.0022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CePm(ThAs2)2]
_chemical_formula_sum '[Ce4 Pm4 Th8 As16]'
_cell_volume [864.6258]
_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
[
  Ce  Ce0  4  0.2500  0.2500  0.2500  1
  Pm  Pm1  4  0.0000  0.0000  0.0000  1
  Th  Th2  4  0.0000  0.0000  0.5000  1
  Th  Th3  4  0.2500  0.2500  0.7500  1
  As  As4  8  0.0000  0.0013  0.2501  1
  As  As5  8  0.2495  0.7500  0.5007  1
]