data_[K1Sm2Ag1Br8]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0047]
_cell_length_b [8.7801]
_cell_length_c [7.2847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KSm2AgBr8]
_chemical_formula_sum '[K1 Sm2 Ag1 Br8]'
_cell_volume [445.4876]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Sm  Sm1  2  0.5000  0.2427  0.5000  1.0
  Ag  Ag2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2521  0.2235  0.1675  1.0
  Br  Br4  2  0.2761  0.0000  0.6423  1.0
  Br  Br5  2  0.2856  0.5000  0.6344  1.0
]