data_[Tm2Mg2Tl2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4743]
_cell_length_b [4.4693]
_cell_length_c [10.4968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmMgTlTe3]
_chemical_formula_sum '[Tm2 Mg2 Tl2 Te6]'
_cell_volume [425.5656]
_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
[
  Tm  Tm0  2  0.3303  0.7500  0.8636  1.0
  Mg  Mg1  2  0.0813  0.2500  0.6097  1.0
  Tl  Tl2  2  0.2066  0.2500  0.2207  1.0
  Te  Te3  2  0.1100  0.2500  0.8793  1.0
  Te  Te4  2  0.2239  0.7500  0.5412  1.0
  Te  Te5  2  0.4581  0.7500  0.1628  1.0
]