data_[Ca4Mo2W2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mo  2.1600  1.4500  0.7750
  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 [9.7513]
_cell_length_b [5.7154]
_cell_length_c [5.6225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2MoWO6]
_chemical_formula_sum '[Ca4 Mo2 W2 O12]'
_cell_volume [258.0843]
_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  0.2496  0.5000  0.7258  1.0
  Mo  Mo1  2  0.0000  0.5000  0.0000  1.0
  W  W2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.0633  0.2440  0.3265  1.0
  O  O4  4  0.2405  0.0000  0.8546  1.0
]