data_[Li4Pm2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [13.7107]
_cell_length_b [4.4480]
_cell_length_c [10.0879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2PmBr6]
_chemical_formula_sum '[Li4 Pm2 Br12]'
_cell_volume [593.1517]
_cell_formula_units_Z [2]
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
[
  Li  Li0  4  0.2111  0.0000  0.1618  1
  Pm  Pm1  2  0.0000  0.0000  0.5000  1
  Br  Br2  4  0.0472  0.0000  0.2463  1
  Br  Br3  4  0.1439  0.5000  0.5956  1
  Br  Br4  4  0.1677  0.5000  0.0405  1
]