data_[Y12Sb4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  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/m]
_cell_length_a [16.9434]
_cell_length_b [3.9247]
_cell_length_c [8.5585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3SbO]
_chemical_formula_sum '[Y12 Sb4 O4]'
_cell_volume [564.1171]
_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
[
  Y  Y0  4  0.0114  0.0000  0.2111  1
  Y  Y1  4  0.1622  0.5000  0.0003  1
  Y  Y2  4  0.1793  0.0000  0.6427  1
  Sb  Sb3  4  0.1380  0.5000  0.3636  1
  O  O4  4  0.2044  0.0000  0.9041  1
]