data_[Mn2Tl6Cr4Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1576]
_cell_length_b [12.4131]
_cell_length_c [8.1719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnTl3(CrTe3)2]
_chemical_formula_sum '[Mn2 Tl6 Cr4 Te12]'
_cell_volume [694.5848]
_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  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1665  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr3  4  0.0000  0.3332  0.0000  1.0
  Te  Te4  8  0.2308  0.1684  0.1873  1.0
  Te  Te5  4  0.2259  0.5000  0.1853  1.0
]