data_[Ca2La2Cr4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6824]
_cell_length_b [5.5382]
_cell_length_c [5.4705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CaLaCr2O6]
_chemical_formula_sum '[Ca2 La2 Cr4 O12]'
_cell_volume [232.7521]
_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
[
  Ca  Ca0  2  0.0000  0.7924  0.4896  1.0
  La  La1  2  0.0000  0.2823  0.0078  1.0
  Cr  Cr2  4  0.2499  0.2496  0.5002  1.0
  O  O3  4  0.2087  0.5418  0.2829  1.0
  O  O4  4  0.2120  0.0317  0.2128  1.0
  O  O5  2  0.0000  0.2292  0.5721  1.0
  O  O6  2  0.0000  0.7325  0.9191  1.0
]