data_[Er1Cd1W1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.5793]
_cell_length_b [5.5793]
_cell_length_c [4.6783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [ErCdWO6]
_chemical_formula_sum '[Er1 Cd1 W1 O6]'
_cell_volume [126.1199]
_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
[
  Er  Er0  1  0.6667  0.3333  0.5000  1
  Cd  Cd1  1  0.3333  0.6667  0.0000  1
  W  W2  1  0.0000  0.0000  0.5000  1
  O  O3  6  0.2956  0.0036  0.7279  1
]