data_[Ca2La2Mg1Ti3O12]
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
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5258]
_cell_length_b [5.5650]
_cell_length_c [7.8286]
_cell_angle_alpha [89.9441]
_cell_angle_beta [89.9578]
_cell_angle_gamma [89.9045]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ca2La2MgTi3O12]
_chemical_formula_sum '[Ca2 La2 Mg1 Ti3 O12]'
_cell_volume [240.7328]
_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
[
  Ca  Ca0  1  0.4943  0.5315  0.7581  1.0
  Ca  Ca1  1  0.9893  0.9642  0.2418  1.0
  La  La2  1  0.0100  0.0327  0.7617  1.0
  La  La3  1  0.5036  0.4759  0.2388  1.0
  Mg  Mg4  1  0.0001  0.5012  0.9998  1.0
  Ti  Ti5  1  0.0007  0.5027  0.5014  1.0
  Ti  Ti6  1  0.5004  0.9994  0.0006  1.0
  Ti  Ti7  1  0.5014  0.0004  0.4991  1.0
  O  O8  1  0.0756  0.5178  0.2606  1.0
  O  O9  1  0.2210  0.7830  0.5414  1.0
  O  O10  1  0.2250  0.7903  0.9621  1.0
  O  O11  1  0.2856  0.2814  0.5427  1.0
  O  O12  1  0.2948  0.2785  0.9584  1.0
  O  O13  1  0.4184  0.0130  0.2540  1.0
  O  O14  1  0.5748  0.9824  0.7461  1.0
  O  O15  1  0.7090  0.7224  0.0379  1.0
  O  O16  1  0.7174  0.7207  0.4592  1.0
  O  O17  1  0.7780  0.2061  0.0408  1.0
  O  O18  1  0.7807  0.2137  0.4567  1.0
  O  O19  1  0.9198  0.4827  0.7389  1.0
]