data_[Ca9Fe6W6O36]
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 [R3m]
_cell_length_a [5.5517]
_cell_length_b [5.5517]
_cell_length_c [27.2165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ca3Fe2(WO6)2]
_chemical_formula_sum '[Ca9 Fe6 W6 O36]'
_cell_volume [726.4618]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1312  1.0
  Ca  Ca1  3  0.0000  0.0000  0.3802  1.0
  Ca  Ca2  3  0.0000  0.0000  0.6242  1.0
  Fe  Fe3  3  0.0000  0.0000  0.2488  1.0
  Fe  Fe4  3  0.0000  0.0000  0.7525  1.0
  W  W5  3  0.0000  0.0000  0.5016  1.0
  W  W6  3  0.0000  0.0000  0.9986  1.0
  O  O7  9  0.0182  0.5091  0.1217  1.0
  O  O8  9  0.1679  0.3359  0.2064  1.0
  O  O9  9  0.1682  0.3364  0.7070  1.0
  O  O10  9  0.1687  0.3374  0.9608  1.0
]