data_[Ca2V1W1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  V  1.6300  1.3500  0.7775
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5640]
_cell_length_b [5.5768]
_cell_length_c [5.5874]
_cell_angle_alpha [60.1786]
_cell_angle_beta [60.5880]
_cell_angle_gamma [60.3126]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca2VWO6]
_chemical_formula_sum '[Ca2 V1 W1 O6]'
_cell_volume [123.5873]
_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  2  0.2454  0.2299  0.2549  1.0
  V  V1  1  0.5000  0.5000  0.5000  1.0
  W  W2  1  0.0000  0.0000  0.0000  1.0
  O  O3  2  0.1977  0.8163  0.7016  1.0
  O  O4  2  0.2268  0.6635  0.2468  1.0
  O  O5  2  0.2951  0.1859  0.8236  1.0
]