data_[Ca2La2V2Cr2O12]
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
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.4552]
_cell_length_b [5.5281]
_cell_length_c [9.5073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [CaLaVCrO6]
_chemical_formula_sum '[Ca2 La2 V2 Cr2 O12]'
_cell_volume [235.8214]
_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  0.7404  0.2921  0.7495  1.0
  La  La1  2  0.2564  0.2168  0.2510  1.0
  V  V2  2  0.4994  0.2508  0.9992  1.0
  Cr  Cr3  2  0.0014  0.2496  0.5008  1.0
  O  O4  2  0.1699  0.2296  0.7520  1.0
  O  O5  2  0.2624  0.4614  0.0367  1.0
  O  O6  2  0.3368  0.0360  0.5456  1.0
  O  O7  2  0.6728  0.4659  0.4578  1.0
  O  O8  2  0.7399  0.0453  0.9609  1.0
  O  O9  2  0.8220  0.2721  0.2482  1.0
]