data_[Ca4Yb2W2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Yb  1.1000  1.7500  1.0840
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8114]
_cell_length_b [5.7804]
_cell_length_c [5.6986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2YbWO6]
_chemical_formula_sum '[Ca4 Yb2 W2 O12]'
_cell_volume [267.9649]
_cell_formula_units_Z [2]
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  4  0.2474  0.0000  0.2173  1.0
  Yb  Yb1  2  0.0000  0.0000  0.5000  1.0
  W  W2  2  0.0000  0.5000  0.0000  1.0
  O  O3  8  0.0696  0.2638  0.8422  1.0
  O  O4  4  0.2224  0.5000  0.3473  1.0
]