data_[Ca2In2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.5680]
_cell_length_b [3.8199]
_cell_length_c [5.7123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaInPb2]
_chemical_formula_sum '[Ca2 In2 Pb4]'
_cell_volume [242.1193]
_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
[
  Ca  Ca0  2  0.4948  0.0000  0.4994  1.0
  In  In1  2  0.2476  0.5000  0.2377  1.0
  Pb  Pb2  2  0.0045  0.0000  0.0084  1.0
  Pb  Pb3  2  0.2532  0.0000  0.7546  1.0
]