data_[Mg4Tl2In2]
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 [Pmma]
_cell_length_a [5.1261]
_cell_length_b [3.7299]
_cell_length_c [10.1889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Mg2TlIn]
_chemical_formula_sum '[Mg4 Tl2 In2]'
_cell_volume [194.8070]
_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  0.2500  0.0000  0.1231  1.0
  Mg  Mg1  2  0.2500  0.0000  0.6289  1.0
  Tl  Tl2  2  0.2500  0.5000  0.3742  1.0
  In  In3  2  0.2500  0.5000  0.8775  1.0
]