data_[La3Pm6Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0326]
_cell_length_b [8.0326]
_cell_length_c [16.2012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LaPm2Br6]
_chemical_formula_sum '[La3 Pm6 Br18]'
_cell_volume [905.2834]
_cell_formula_units_Z [3]
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
[
  La  La0  3  0.0000  0.0000  0.3202  1
  Pm  Pm1  3  0.0000  0.0000  0.5336  1
  Pm  Pm2  3  0.0000  0.0000  0.7908  1
  Br  Br3  9  0.0014  0.7116  0.9161  1
  Br  Br4  9  0.0268  0.3398  0.0909  1
]