data_[Ca4Te4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6183]
_cell_length_b [7.0081]
_cell_length_c [8.5959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.4064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaTeO3]
_chemical_formula_sum '[Ca4 Te4 O12]'
_cell_volume [320.8807]
_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  0.3598  0.1161  0.1242  1.0
  Te  Te1  4  0.1295  0.6637  0.9009  1.0
  O  O2  4  0.0938  0.5741  0.6769  1.0
  O  O3  4  0.2942  0.0384  0.5815  1.0
  O  O4  4  0.4222  0.6821  0.5193  1.0
]