data_[Li4Mn2V2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Pmn2_1]
_cell_length_a [7.6431]
_cell_length_b [6.8948]
_cell_length_c [6.3138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2MnVS4]
_chemical_formula_sum '[Li4 Mn2 V2 S8]'
_cell_volume [332.7211]
_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
[
  Li  Li0  4  0.2474  0.6696  0.9993  1.0
  Mn  Mn1  2  0.0000  0.8471  0.4959  1.0
  V  V2  2  0.0000  0.1684  0.9972  1.0
  S  S3  4  0.2434  0.3246  0.8920  1.0
  S  S4  2  0.0000  0.1631  0.3518  1.0
  S  S5  2  0.0000  0.8651  0.8724  1.0
]