data_[Ca6Ta3W3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ta  1.5000  1.4500  0.8200
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.6587]
_cell_length_b [5.6587]
_cell_length_c [14.1266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ca2TaWO6]
_chemical_formula_sum '[Ca6 Ta3 W3 O18]'
_cell_volume [391.7498]
_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  0.2749  1.0
  Ca  Ca1  3  0.0000  0.0000  0.7734  1.0
  Ta  Ta2  3  0.0000  0.0000  0.5007  1.0
  W  W3  3  0.0000  0.0000  0.0005  1.0
  O  O4  9  0.0060  0.4107  0.2415  1.0
  O  O5  9  0.0837  0.7245  0.0794  1.0
]