data_[K4Mn2V2Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3482]
_cell_length_b [7.5044]
_cell_length_c [12.8299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8795]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2MnVBr6]
_chemical_formula_sum '[K4 Mn2 V2 Br12]'
_cell_volume [580.3956]
_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  4  0.2322  0.5603  0.7498  1
  Mn  Mn1  2  0.5000  0.0000  0.0000  1
  V  V2  2  0.0000  0.0000  0.5000  1
  Br  Br3  4  0.1667  0.7065  0.4645  1
  Br  Br4  4  0.2590  0.2036  0.4644  1
  Br  Br5  4  0.3210  0.5052  0.2488  1
]