data_[Mn2Tl2Cr2S6]
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
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8837]
_cell_length_b [3.4664]
_cell_length_c [9.4734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnTlCrS3]
_chemical_formula_sum '[Mn2 Tl2 Cr2 S6]'
_cell_volume [241.4871]
_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  0.4703  0.2500  0.3930  1.0
  Tl  Tl1  2  0.0045  0.2500  0.7247  1.0
  Cr  Cr2  2  0.4685  0.7500  0.1557  1.0
  S  S3  2  0.2663  0.2500  0.1626  1.0
  S  S4  2  0.3422  0.7500  0.8862  1.0
  S  S5  2  0.3481  0.2500  0.5676  1.0
]