data_[Ca1W4O8]
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 [P1]
_cell_length_a [3.3169]
_cell_length_b [7.6411]
_cell_length_c [7.8412]
_cell_angle_alpha [81.1924]
_cell_angle_beta [77.9655]
_cell_angle_gamma [78.0226]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ca(WO2)4]
_chemical_formula_sum '[Ca1 W4 O8]'
_cell_volume [188.8783]
_cell_formula_units_Z [1]
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  1  0.3886  0.1109  0.1038  1
  W  W1  1  0.1660  0.5087  0.1395  1
  W  W2  1  0.3876  0.8071  0.4320  1
  W  W3  1  0.6688  0.1741  0.5001  1
  W  W4  1  0.8671  0.4942  0.7710  1
  O  O5  1  0.1561  0.2973  0.3602  1
  O  O6  1  0.2059  0.0260  0.6038  1
  O  O7  1  0.2433  0.6234  0.8687  1
  O  O8  1  0.4963  0.3363  0.6962  1
  O  O9  1  0.5585  0.6595  0.2119  1
  O  O10  1  0.8099  0.3362  0.0277  1
  O  O11  1  0.8594  0.9864  0.3039  1
  O  O12  1  0.8967  0.6639  0.5507  1
]