data_[Ca4W4O16]
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 [Cmc2_1]
_cell_length_a [3.8839]
_cell_length_b [15.3613]
_cell_length_c [5.5225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CaWO4]
_chemical_formula_sum '[Ca4 W4 O16]'
_cell_volume [329.4828]
_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  0.0000  0.1905  0.5258  1.0
  W  W1  4  0.0000  0.4114  0.4877  1.0
  O  O2  4  0.0000  0.0869  0.9659  1.0
  O  O3  4  0.0000  0.3116  0.2727  1.0
  O  O4  4  0.0000  0.3361  0.7546  1.0
  O  O5  4  0.0000  0.4850  0.1810  1.0
]