data_[Ca4Fe2W2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Fe  1.8300  1.4000  0.8525
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5009]
_cell_length_b [5.6478]
_cell_length_c [9.6648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2FeWO6]
_chemical_formula_sum '[Ca4 Fe2 W2 O12]'
_cell_volume [246.6285]
_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  0.2407  0.0542  0.2543  1.0
  Fe  Fe1  2  0.5000  0.0000  0.0000  1.0
  W  W2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1261  0.2174  0.9409  1.0
  O  O4  4  0.2405  0.6951  0.9523  1.0
  O  O5  4  0.3354  0.0376  0.7343  1.0
]