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 [C2/m]
_cell_length_a [9.7225]
_cell_length_b [5.7153]
_cell_length_c [5.6528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3WO6]
_chemical_formula_sum '[Ca6 W2 O12]'
_cell_volume [260.6266]
_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  0.2480  0.0000  0.7169  1
  Ca  Ca1  2  0.0000  0.0000  0.0000  1
  W  W2  2  0.0000  0.5000  0.5000  1
  O  O3  8  0.0708  0.2636  0.3442  1
  O  O4  4  0.2210  0.5000  0.8483  1
]