data_[K2Li2Ca2Br8]
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
  Ca  1.0000  1.8000  1.1400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1067]
_cell_length_b [7.4323]
_cell_length_c [8.9885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KLiCaBr4]
_chemical_formula_sum '[K2 Li2 Ca2 Br8]'
_cell_volume [451.1728]
_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  0.2455  0.2500  0.0542  1.0
  Li  Li1  2  0.2459  0.7500  0.3259  1.0
  Ca  Ca2  2  0.2131  0.2500  0.5514  1.0
  Br  Br3  4  0.0062  0.5005  0.7131  1.0
  Br  Br4  2  0.4571  0.7500  0.1546  1.0
  Br  Br5  2  0.4777  0.7500  0.5927  1.0
]