data_[Ca6W2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6033]
_cell_length_b [5.8734]
_cell_length_c [9.8354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca3WO6]
_chemical_formula_sum '[Ca6 W2 O12]'
_cell_volume [267.5510]
_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  4  0.2742  0.5554  0.7584  1.0
  Ca  Ca1  2  0.5000  0.0000  0.0000  1.0
  W  W2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1078  0.5585  0.2250  1.0
  O  O4  4  0.2437  0.2249  0.0747  1.0
  O  O5  4  0.3350  0.6760  0.0500  1.0
]