data_[Ca3Fe2W2O12]
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 [Pm]
_cell_length_a [5.5095]
_cell_length_b [5.5354]
_cell_length_c [7.7490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0618]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ca3Fe2(WO6)2]
_chemical_formula_sum '[Ca3 Fe2 W2 O12]'
_cell_volume [236.3222]
_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  0.0028  0.5000  0.7488  1.0
  Ca  Ca1  1  0.0264  0.5000  0.2482  1.0
  Ca  Ca2  1  0.5080  0.0000  0.2496  1.0
  Fe  Fe3  1  0.0216  0.0000  0.5012  1.0
  Fe  Fe4  1  0.5183  0.5000  0.9974  1.0
  W  W5  1  0.0214  0.0000  0.9921  1.0
  W  W6  1  0.5227  0.5000  0.5059  1.0
  O  O7  2  0.2684  0.2457  0.0532  1.0
  O  O8  2  0.2777  0.2557  0.4476  1.0
  O  O9  2  0.7777  0.2642  0.5380  1.0
  O  O10  2  0.7924  0.2590  0.9642  1.0
  O  O11  1  0.0983  0.0000  0.7556  1.0
  O  O12  1  0.4295  0.5000  0.7433  1.0
  O  O13  1  0.6033  0.5000  0.2547  1.0
  O  O14  1  0.9326  0.0000  0.2451  1.0
]