data_[La1Cr1W1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cr  1.6600  1.4000  0.9400
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5020]
_cell_length_b [5.5110]
_cell_length_c [5.5108]
_cell_angle_alpha [119.7853]
_cell_angle_beta [90.3743]
_cell_angle_gamma [119.6733]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaCrWO6]
_chemical_formula_sum '[La1 Cr1 W1 O6]'
_cell_volume [118.7307]
_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  1  0.2376  0.9811  0.2387  1.0
  Cr  Cr1  1  0.4896  0.4884  0.9988  1.0
  W  W2  1  0.9876  0.4883  0.4978  1.0
  O  O3  1  0.2139  0.5150  0.2311  1.0
  O  O4  1  0.2403  0.4215  0.6736  1.0
  O  O5  1  0.2574  0.9813  0.7878  1.0
  O  O6  1  0.7150  0.9968  0.2223  1.0
  O  O7  1  0.7370  0.5377  0.3084  1.0
  O  O8  1  0.7797  0.4884  0.7814  1.0
]