data_[Mn4Tl4Te8]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7079]
_cell_length_b [3.9231]
_cell_length_c [6.6727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnTlTe2]
_chemical_formula_sum '[Mn4 Tl4 Te8]'
_cell_volume [491.5601]
_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  0.1687  0.0000  0.4717  1.0
  Tl  Tl1  4  0.0882  0.0000  0.8732  1.0
  Te  Te2  4  0.0752  0.5000  0.2929  1.0
  Te  Te3  4  0.2323  0.5000  0.7482  1.0
]