data_[Cs4Pm4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pm  1.1300  1.8500  1.1100
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3221]
_cell_length_b [7.9191]
_cell_length_c [7.7150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsPmBr4]
_chemical_formula_sum '[Cs4 Pm4 Br16]'
_cell_volume [994.2646]
_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
[
  Cs  Cs0  4  0.2068  0.0000  0.2505  1
  Pm  Pm1  4  0.0314  0.5000  0.2787  1
  Br  Br2  8  0.1015  0.2804  0.5734  1
  Br  Br3  4  0.0000  0.2519  0.0000  1
  Br  Br4  4  0.1951  0.5000  0.1794  1
]