data_[Mn4Tl6Te8]
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 [15.9078]
_cell_length_b [4.0266]
_cell_length_c [9.9568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2Tl3Te4]
_chemical_formula_sum '[Mn4 Tl6 Te8]'
_cell_volume [596.5473]
_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  4  0.2454  0.0000  0.8500  1
  Tl  Tl1  4  0.1057  0.5000  0.4636  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.1281  0.5000  0.8692  1
  Te  Te4  4  0.1932  0.0000  0.2850  1
]