data_[Mg2Tl2Ga2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9923]
_cell_length_b [4.2648]
_cell_length_c [10.8787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8277]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgTlGaTe3]
_chemical_formula_sum '[Mg2 Tl2 Ga2 Te6]'
_cell_volume [403.3123]
_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
[
  Mg  Mg0  2  0.3450  0.7500  0.9066  1.0
  Tl  Tl1  2  0.2310  0.2500  0.2441  1.0
  Ga  Ga2  2  0.0861  0.2500  0.6280  1.0
  Te  Te3  2  0.1013  0.2500  0.8688  1.0
  Te  Te4  2  0.2073  0.7500  0.5298  1.0
  Te  Te5  2  0.4732  0.7500  0.1733  1.0
]