data_[K1Co1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Co  1.8800  1.3500  0.7683
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.9613]
_cell_length_b [4.3060]
_cell_length_c [6.6019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KCoBr2]
_chemical_formula_sum '[K1 Co1 Br2]'
_cell_volume [139.9235]
_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  0.6238  0.5000  0.1614  1
  Co  Co1  1  0.2986  0.0000  0.5257  1
  Br  Br2  1  0.1228  0.0000  0.1652  1
  Br  Br3  1  0.4548  0.5000  0.6476  1
]