data_[La2Cr2W2O12]
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 [Cm]
_cell_length_a [9.5350]
_cell_length_b [5.5333]
_cell_length_c [5.5290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaCrWO6]
_chemical_formula_sum '[La2 Cr2 W2 O12]'
_cell_volume [237.2994]
_cell_formula_units_Z [2]
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  0.2571  0.0000  0.2576  1.0
  Cr  Cr1  2  0.0090  0.5000  0.0014  1.0
  W  W2  2  0.0074  0.0000  0.4989  1.0
  O  O3  4  0.0461  0.2420  0.2865  1.0
  O  O4  4  0.4740  0.2487  0.7054  1.0
  O  O5  2  0.2550  0.0000  0.8209  1.0
  O  O6  2  0.2629  0.5000  0.1964  1.0
]