data_[Mg2Tl2In2]
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 [P-1]
_cell_length_a [3.5164]
_cell_length_b [5.6935]
_cell_length_c [8.4621]
_cell_angle_alpha [77.3673]
_cell_angle_beta [81.7132]
_cell_angle_gamma [74.7245]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgTlIn]
_chemical_formula_sum '[Mg2 Tl2 In2]'
_cell_volume [158.8019]
_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  0.1577  0.7394  0.4123  1.0
  Tl  Tl1  2  0.2189  0.2656  0.9096  1.0
  In  In2  2  0.4600  0.2200  0.2863  1.0
]