data_[In7Pb5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.3986]
_cell_length_b [10.2082]
_cell_length_c [10.0998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [In7Pb5]
_chemical_formula_sum '[In7 Pb5]'
_cell_volume [350.3983]
_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
[
  In  In0  2  0.0000  0.1644  0.4948  1
  In  In1  2  0.5000  0.3321  0.2498  1
  In  In2  1  0.0000  0.5000  0.0084  1
  In  In3  1  0.5000  0.0000  0.2592  1
  In  In4  1  0.5000  0.0000  0.7404  1
  Pb  Pb5  2  0.0000  0.1673  0.0039  1
  Pb  Pb6  2  0.5000  0.3306  0.7510  1
  Pb  Pb7  1  0.0000  0.5000  0.4931  1
]