data_[Mg4Tl10In10]
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 [C2/m]
_cell_length_a [14.7639]
_cell_length_b [4.6974]
_cell_length_c [10.6132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3670]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2(TlIn)5]
_chemical_formula_sum '[Mg4 Tl10 In10]'
_cell_volume [659.4831]
_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  4  0.0868  0.0000  0.7547  1
  Tl  Tl1  4  0.1584  0.0000  0.4935  1
  Tl  Tl2  4  0.2468  0.5000  0.7489  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  In  In4  4  0.0688  0.5000  0.2436  1
  In  In5  4  0.1714  0.5000  0.0024  1
  In  In6  2  0.0000  0.5000  0.5000  1
]