data_[La2Cu1W1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4845]
_cell_length_b [5.5088]
_cell_length_c [5.5516]
_cell_angle_alpha [63.0613]
_cell_angle_beta [63.4778]
_cell_angle_gamma [63.7600]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La2CuWO6]
_chemical_formula_sum '[La2 Cu1 W1 O6]'
_cell_volume [127.6044]
_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
[
  La  La0  2  0.2407  0.7532  0.2575  1
  Cu  Cu1  1  0.0000  0.5000  0.0000  1
  W  W2  1  0.5000  0.0000  0.5000  1
  O  O3  2  0.1732  0.8416  0.7094  1
  O  O4  2  0.2412  0.3243  0.6483  1
  O  O5  2  0.3696  0.2272  0.1606  1
]