data_[Pm4Ag4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8702]
_cell_length_b [14.4445]
_cell_length_c [8.9970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PmAgBr5]
_chemical_formula_sum '[Pm4 Ag4 Br20]'
_cell_volume [998.1881]
_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
[
  Pm  Pm0  4  0.0000  0.4605  0.2500  1
  Ag  Ag1  4  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.1024  0.3911  0.9677  1
  Br  Br3  8  0.1839  0.1401  0.6321  1
  Br  Br4  4  0.0000  0.0893  0.2500  1
]