data_[Ca4Pa4Sb4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pa  1.5000  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4715]
_cell_length_b [9.1840]
_cell_length_c [8.4729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaPaSbO5]
_chemical_formula_sum '[Ca4 Pa4 Sb4 O20]'
_cell_volume [583.1190]
_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  0.4414  0.7500  1
  Pa  Pa1  4  0.2500  0.2500  0.5000  1
  Sb  Sb2  4  0.0000  0.0757  0.7500  1
  O  O3  8  0.0918  0.2347  0.6527  1
  O  O4  8  0.2389  0.4814  0.5128  1
  O  O5  4  0.0000  0.2806  0.2500  1
]