data_[Ca12Sb4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8637]
_cell_length_b [6.8982]
_cell_length_c [6.1484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca6Sb2O]
_chemical_formula_sum '[Ca12 Sb4 O2]'
_cell_volume [496.9315]
_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  8  0.0908  0.2469  0.7972  1
  Ca  Ca1  4  0.1541  0.0000  0.3056  1
  Sb  Sb2  4  0.1607  0.5000  0.2571  1
  O  O3  2  0.0000  0.0000  0.0000  1
]