data_[Mg4Tl4In4]
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 [Cm]
_cell_length_a [10.4189]
_cell_length_b [4.6786]
_cell_length_c [6.8898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgTlIn]
_chemical_formula_sum '[Mg4 Tl4 In4]'
_cell_volume [315.6907]
_cell_formula_units_Z [4]
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  0.1524  0.0000  0.5180  1.0
  Mg  Mg1  2  0.4884  0.0000  0.1823  1.0
  Tl  Tl2  2  0.1542  0.0000  0.0328  1.0
  Tl  Tl3  2  0.3174  0.5000  0.8446  1.0
  In  In4  2  0.3257  0.5000  0.3534  1.0
  In  In5  2  0.4802  0.0000  0.6588  1.0
]