data_[K2Mn2V2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1313]
_cell_length_b [3.4596]
_cell_length_c [9.2133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KMnVS3]
_chemical_formula_sum '[K2 Mn2 V2 S6]'
_cell_volume [238.9139]
_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  0.0016  0.2500  0.7554  1.0
  Mn  Mn1  2  0.4354  0.7500  0.1065  1.0
  V  V2  2  0.4960  0.7500  0.6267  1.0
  S  S3  2  0.2550  0.2500  0.1309  1.0
  S  S4  2  0.3048  0.2500  0.5017  1.0
  S  S5  2  0.3534  0.7500  0.8251  1.0
]