data_[Mg4Tl2In10]
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 [Pbam]
_cell_length_a [6.8314]
_cell_length_b [12.7336]
_cell_length_c [4.7133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Mg2TlIn5]
_chemical_formula_sum '[Mg4 Tl2 In10]'
_cell_volume [410.0076]
_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  0.2424  0.6228  0.5000  1
  Tl  Tl1  2  0.0000  0.5000  0.0000  1
  In  In2  4  0.0146  0.2477  0.0000  1
  In  In3  4  0.2385  0.8714  0.5000  1
  In  In4  2  0.0000  0.0000  0.0000  1
]