data_[Ca4As4Pb4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.1279]
_cell_length_b [9.5334]
_cell_length_c [7.8269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaAsPbO5]
_chemical_formula_sum '[Ca4 As4 Pb4 O20]'
_cell_volume [499.5156]
_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  0.3367  0.7500  1.0
  As  As1  4  0.0000  0.3260  0.2500  1.0
  Pb  Pb2  4  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.1384  0.2209  0.1562  1.0
  O  O4  8  0.1435  0.4392  0.4174  1.0
  O  O5  4  0.0000  0.0951  0.7500  1.0
]