data_[Pm4Br5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.2052]
_cell_length_b [7.2052]
_cell_length_c [19.7644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Pm4Br5]
_chemical_formula_sum '[Pm4 Br5]'
_cell_volume [888.6052]
_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
[
  Pm  Pm0  3  0.0000  0.4950  0.4770  1
  Pm  Pm1  1  0.0000  0.0000  0.5173  1
  Br  Br2  3  0.0000  0.3253  0.6068  1
  Br  Br3  2  0.3333  0.6667  0.3657  1
]