data_[Ce12Te12O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7719]
_cell_length_b [12.6609]
_cell_length_c [7.6371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Te3O]
_chemical_formula_sum '[Ce12 Te12 O4]'
_cell_volume [833.4758]
_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
[
  Ce  Ce0  8  0.1987  0.3524  0.7142  1
  Ce  Ce1  4  0.0909  0.0000  0.8329  1
  Te  Te2  4  0.0000  0.1621  0.5000  1
  Te  Te3  4  0.0000  0.2390  0.0000  1
  Te  Te4  4  0.1119  0.5000  0.3394  1
  O  O5  4  0.1892  0.0000  0.1456  1
]