data_[K2Mn4V2Cl16]
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 [C2/m]
_cell_length_a [9.8596]
_cell_length_b [7.7574]
_cell_length_c [8.6495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KMn2VCl8]
_chemical_formula_sum '[K2 Mn4 V2 Cl16]'
_cell_volume [638.9111]
_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  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  4  0.0589  0.5000  0.7289  1.0
  V  V2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.0303  0.2231  0.2078  1.0
  Cl  Cl4  4  0.1679  0.5000  0.5132  1.0
  Cl  Cl5  4  0.2451  0.0000  0.0285  1.0
]