data_[Mn4Tl4Co4S12]
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
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.6025]
_cell_length_b [3.4738]
_cell_length_c [9.2037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [MnTlCoS3]
_chemical_formula_sum '[Mn4 Tl4 Co4 S12]'
_cell_volume [466.8621]
_cell_formula_units_Z [4]
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  4  0.0147  0.2500  0.1753  1
  Tl  Tl1  4  0.2462  0.2500  0.4535  1
  Co  Co2  4  0.0126  0.7500  0.4016  1
  S  S3  4  0.0771  0.2500  0.9327  1
  S  S4  4  0.0795  0.7500  0.6214  1
  S  S5  4  0.1186  0.7500  0.2366  1
]