data_[Tl3In2Pb7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2/m]
_cell_length_a [6.3419]
_cell_length_b [3.4152]
_cell_length_c [17.6351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1137]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl3In2Pb7]
_chemical_formula_sum '[Tl3 In2 Pb7]'
_cell_volume [379.0215]
_cell_formula_units_Z [1]
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
[
  Tl  Tl0  2  0.0082  0.0000  0.6619  1.0
  Tl  Tl1  1  0.5000  0.5000  0.0000  1.0
  In  In2  2  0.4908  0.5000  0.6697  1.0
  Pb  Pb3  2  0.1612  0.5000  0.8358  1.0
  Pb  Pb4  2  0.2488  0.5000  0.4979  1.0
  Pb  Pb5  2  0.3438  0.0000  0.1690  1.0
  Pb  Pb6  1  0.0000  0.0000  0.0000  1.0
]