data_[La4Mn2V2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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/c]
_cell_length_a [6.3813]
_cell_length_b [7.0727]
_cell_length_c [11.1501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La2MnVS6]
_chemical_formula_sum '[La4 Mn2 V2 S12]'
_cell_volume [413.4835]
_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
[
  La  La0  4  0.2870  0.5994  0.7492  1.0
  Mn  Mn1  2  0.0000  0.0000  0.5000  1.0
  V  V2  2  0.5000  0.0000  0.0000  1.0
  S  S3  4  0.1488  0.5155  0.2504  1.0
  S  S4  4  0.2353  0.1847  0.0479  1.0
  S  S5  4  0.3684  0.6942  0.0473  1.0
]