data_[Li6Pm3In3Br18]
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
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3456]
_cell_length_b [7.3456]
_cell_length_c [19.9502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2PmInBr6]
_chemical_formula_sum '[Li6 Pm3 In3 Br18]'
_cell_volume [932.2389]
_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
[
  Li  Li0  3  0.0000  0.0000  0.4846  1
  Li  Li1  3  0.0000  0.0000  0.9905  1
  Pm  Pm2  3  0.0000  0.0000  0.6802  1
  In  In3  3  0.0000  0.0000  0.1980  1
  Br  Br4  9  0.0074  0.5883  0.2500  1
  Br  Br5  9  0.0193  0.3346  0.0787  1
]