data_[Mg2Tl4In4Pb2]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.6878]
_cell_length_b [10.5825]
_cell_length_c [6.9148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [MgTl2In2Pb]
_chemical_formula_sum '[Mg2 Tl4 In4 Pb2]'
_cell_volume [343.0318]
_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  0.0000  0.4994  0.3819  1.0
  Tl  Tl1  2  0.0000  0.1776  0.3765  1.0
  Tl  Tl2  2  0.5000  0.0095  0.6366  1.0
  In  In3  2  0.0000  0.1844  0.8900  1.0
  In  In4  2  0.5000  0.3409  0.1246  1.0
  Pb  Pb5  2  0.5000  0.3510  0.6360  1.0
]