data_[Mn2Tl2In2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8360]
_cell_length_b [3.8529]
_cell_length_c [9.6991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnTlInS3]
_chemical_formula_sum '[Mn2 Tl2 In2 S6]'
_cell_volume [320.5288]
_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
[
  Mn  Mn0  2  0.0960  0.2500  0.6114  1.0
  Tl  Tl1  2  0.2034  0.2500  0.2435  1.0
  In  In2  2  0.3440  0.7500  0.8910  1.0
  S  S3  2  0.1389  0.2500  0.8638  1.0
  S  S4  2  0.1887  0.7500  0.5056  1.0
  S  S5  2  0.4682  0.7500  0.1606  1.0
]