data_[Ca2Sb1W1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6196]
_cell_length_b [5.8044]
_cell_length_c [6.0491]
_cell_angle_alpha [85.6795]
_cell_angle_beta [67.6053]
_cell_angle_gamma [61.2106]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ca2SbWO6]
_chemical_formula_sum '[Ca2 Sb1 W1 O6]'
_cell_volume [158.4513]
_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  0.3158  0.8953  0.3702  1
  Ca  Ca1  1  0.4078  0.2943  0.8943  1
  Sb  Sb2  1  0.9029  0.5659  0.5601  1
  W  W3  1  0.0441  0.9538  0.9676  1
  O  O4  1  0.0593  0.1974  0.1518  1
  O  O5  1  0.1332  0.6519  0.6995  1
  O  O6  1  0.2379  0.6693  0.1392  1
  O  O7  1  0.4772  0.8777  0.7095  1
  O  O8  1  0.6618  0.0066  0.1211  1
  O  O9  1  0.9052  0.2399  0.7273  1
]