data_[Mn2Tl2V2Te6]
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
  V  1.6300  1.3500  0.7775
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0137]
_cell_length_b [3.7583]
_cell_length_c [10.1485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnTlVTe3]
_chemical_formula_sum '[Mn2 Tl2 V2 Te6]'
_cell_volume [316.0736]
_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  0.4706  0.7500  0.1805  1.0
  Tl  Tl1  2  0.0101  0.2500  0.7397  1.0
  V  V2  2  0.4809  0.2500  0.3973  1.0
  Te  Te3  2  0.2428  0.2500  0.1452  1.0
  Te  Te4  2  0.2951  0.2500  0.5494  1.0
  Te  Te5  2  0.3499  0.7500  0.8846  1.0
]