data_[Ca2Sn1W1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  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 [5.6484]
_cell_length_b [5.6667]
_cell_length_c [5.7052]
_cell_angle_alpha [119.4763]
_cell_angle_beta [90.1543]
_cell_angle_gamma [119.5072]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ca2SnWO6]
_chemical_formula_sum '[Ca2 Sn1 W1 O6]'
_cell_volume [130.9166]
_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  0.2776  0.5446  0.8036  1.0
  Ca  Ca1  1  0.7761  0.5425  0.2975  1.0
  Sn  Sn2  1  0.5062  0.0048  0.4890  1.0
  W  W3  1  0.0051  0.0027  0.9859  1.0
  O  O4  1  0.1565  0.8847  0.2085  1.0
  O  O5  1  0.2289  0.8828  0.7105  1.0
  O  O6  1  0.3579  0.5094  0.2115  1.0
  O  O7  1  0.6512  0.4923  0.7076  1.0
  O  O8  1  0.7464  0.0839  0.2180  1.0
  O  O9  1  0.8524  0.0850  0.7221  1.0
]