data_[K1Mn2Co1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2549]
_cell_length_b [6.2631]
_cell_length_c [8.6780]
_cell_angle_alpha [76.3757]
_cell_angle_beta [75.9462]
_cell_angle_gamma [76.2178]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KMn2CoCl8]
_chemical_formula_sum '[K1 Mn2 Co1 Cl8]'
_cell_volume [314.5419]
_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  0.0000  0.5000  1
  Mn  Mn1  2  0.4543  0.4561  0.7264  1
  Co  Co2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  2  0.2033  0.7608  0.2095  1
  Cl  Cl4  2  0.2406  0.2563  0.9502  1
  Cl  Cl5  2  0.2507  0.8064  0.7864  1
  Cl  Cl6  2  0.3286  0.3438  0.5135  1
]