data_[K4Sm2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sm  1.1700  1.8500  1.2290
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.7687]
_cell_length_b [11.5141]
_cell_length_c [7.6820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K2SmBr5]
_chemical_formula_sum '[K4 Sm2 Br10]'
_cell_volume [953.3143]
_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  0.1706  0.2209  0.7396  1.0
  Sm  Sm1  2  0.4824  0.5000  0.9980  1.0
  Br  Br2  4  0.4566  0.2694  0.8572  1.0
  Br  Br3  2  0.0453  0.0000  0.4029  1.0
  Br  Br4  2  0.2198  0.0000  0.0502  1.0
  Br  Br5  2  0.2201  0.5000  0.7990  1.0
]