data_[K8Sr4Ga4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6219]
_cell_length_b [19.3993]
_cell_length_c [15.3631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2SrGaBr5]
_chemical_formula_sum '[K8 Sr4 Ga4 Br20]'
_cell_volume [1377.5001]
_cell_formula_units_Z [4]
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  0.0000  0.0760  0.6511  1.0
  K  K1  4  0.0000  0.1275  0.2984  1.0
  Sr  Sr2  4  0.0000  0.2360  0.0315  1.0
  Ga  Ga3  4  0.0000  0.4483  0.4466  1.0
  Br  Br4  4  0.0000  0.0832  0.0696  1.0
  Br  Br5  4  0.0000  0.2497  0.6661  1.0
  Br  Br6  4  0.0000  0.2858  0.4016  1.0
  Br  Br7  4  0.0000  0.3898  0.9928  1.0
  Br  Br8  4  0.0000  0.4961  0.7662  1.0
]