data_[Mg2Tl8In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0942]
_cell_length_b [6.8830]
_cell_length_c [8.6143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgTl4In]
_chemical_formula_sum '[Mg2 Tl8 In2]'
_cell_volume [352.6745]
_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  0.1304  0.2500  0.4507  1.0
  Tl  Tl1  4  0.2313  0.0128  0.7687  1.0
  Tl  Tl2  2  0.2277  0.7500  0.0807  1.0
  Tl  Tl3  2  0.3531  0.7500  0.4558  1.0
  In  In4  2  0.2945  0.2500  0.1349  1.0
]