data_[Ca8In4Pb4O20]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4088]
_cell_length_b [13.3631]
_cell_length_c [12.2680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2InPbO5]
_chemical_formula_sum '[Ca8 In4 Pb4 O20]'
_cell_volume [558.8319]
_cell_formula_units_Z [4]
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  4  0.0000  0.0620  0.6646  1
  Ca  Ca1  4  0.0000  0.1679  0.2561  1
  In  In2  4  0.0000  0.2585  0.0252  1
  Pb  Pb3  4  0.0000  0.4498  0.4387  1
  O  O4  4  0.0000  0.0944  0.0517  1
  O  O5  4  0.0000  0.2403  0.6603  1
  O  O6  4  0.0000  0.2636  0.4128  1
  O  O7  4  0.0000  0.4146  0.0423  1
  O  O8  4  0.0000  0.4693  0.7722  1
]