data_[Ca6Fe3W3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Fe  1.8300  1.4000  0.8525
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.6051]
_cell_length_b [5.6051]
_cell_length_c [13.8689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ca2FeWO6]
_chemical_formula_sum '[Ca6 Fe3 W3 O18]'
_cell_volume [377.3463]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2453  1.0
  Ca  Ca1  3  0.0000  0.0000  0.7426  1.0
  Fe  Fe2  3  0.0000  0.0000  0.5125  1.0
  W  W3  3  0.0000  0.0000  0.0174  1.0
  O  O4  9  0.0303  0.6098  0.7694  1.0
  O  O5  9  0.0849  0.3467  0.6115  1.0
]