data_[K1Mn1V2Cl8]
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
  V  1.6300  1.3500  0.7775
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0348]
_cell_length_b [7.6672]
_cell_length_c [6.3135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KMn(VCl4)2]
_chemical_formula_sum '[K1 Mn1 V2 Cl8]'
_cell_volume [291.3042]
_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
  Mn  Mn1  1  0.0000  0.0000  0.0000  1
  V  V2  2  0.5000  0.2431  0.5000  1
  Cl  Cl3  4  0.2574  0.2171  0.1775  1
  Cl  Cl4  2  0.2812  0.0000  0.6451  1
  Cl  Cl5  2  0.2985  0.5000  0.6285  1
]