data_[La12As4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.3886]
_cell_length_b [11.7876]
_cell_length_c [6.2066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La3AsO6]
_chemical_formula_sum '[La12 As4 O24]'
_cell_volume [686.8726]
_cell_formula_units_Z [4]
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  8  0.1971  0.1091  0.5172  1
  La  La1  4  0.0000  0.4003  0.5541  1
  As  As2  4  0.0000  0.1735  0.9611  1
  O  O3  8  0.1477  0.2511  0.8381  1
  O  O4  8  0.1623  0.4898  0.2845  1
  O  O5  4  0.0000  0.0439  0.7915  1
  O  O6  4  0.0000  0.2185  0.4284  1
]