data_[K4Li2Sm2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6371]
_cell_length_b [7.9688]
_cell_length_c [13.2136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7212]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2LiSmBr6]
_chemical_formula_sum '[K4 Li2 Sm2 Br12]'
_cell_volume [660.9649]
_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
[
  K  K0  4  0.2750  0.0708  0.2529  1.0
  Li  Li1  2  0.5000  0.0000  0.0000  1.0
  Sm  Sm2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1613  0.0211  0.7556  1.0
  Br  Br4  4  0.2465  0.7015  0.5469  1.0
  Br  Br5  4  0.3507  0.2027  0.5482  1.0
]