data_[K2Ca2Ag2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2790]
_cell_length_b [7.6173]
_cell_length_c [9.0129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8186]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCaAgBr4]
_chemical_formula_sum '[K2 Ca2 Ag2 Br8]'
_cell_volume [475.7606]
_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  2  0.2201  0.2500  0.0438  1.0
  Ca  Ca1  2  0.2103  0.2500  0.5533  1.0
  Ag  Ag2  2  0.2459  0.7500  0.3292  1.0
  Br  Br3  4  0.0232  0.5088  0.7125  1.0
  Br  Br4  2  0.4761  0.7500  0.1517  1.0
  Br  Br5  2  0.4903  0.2500  0.3909  1.0
]