data_[K1Mn2Co1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6123]
_cell_length_b [8.3870]
_cell_length_c [7.0705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KMn2CoBr8]
_chemical_formula_sum '[K1 Mn2 Co1 Br8]'
_cell_volume [373.7954]
_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
  Mn  Mn1  2  0.5000  0.2556  0.0000  1.0
  Co  Co2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2372  0.1971  0.2083  1.0
  Br  Br4  2  0.2309  0.0000  0.7889  1.0
  Br  Br5  2  0.3338  0.5000  0.7517  1.0
]