data_[Ca14La6Ti10Cr10O60]
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
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4770]
_cell_length_b [38.4589]
_cell_length_c [5.5208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ca7La3Ti5Cr5O30]
_chemical_formula_sum '[Ca14 La6 Ti10 Cr10 O60]'
_cell_volume [1162.9051]
_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  0.0123  0.4004  0.0321  1
  Ca  Ca1  2  0.4889  0.2012  0.5375  1
  Ca  Ca2  2  0.5111  0.3004  0.4623  1
  Ca  Ca3  2  0.9869  0.3024  0.9662  1
  Ca  Ca4  2  0.9891  0.0985  0.9675  1
  Ca  Ca5  1  0.0137  0.0000  0.0324  1
  Ca  Ca6  1  0.4879  0.0000  0.5399  1
  Ca  Ca7  1  0.5105  0.5000  0.4600  1
  Ca  Ca8  1  0.9868  0.5000  0.9672  1
  La  La9  2  0.0076  0.2004  0.0255  1
  La  La10  2  0.4910  0.4001  0.5315  1
  La  La11  2  0.5072  0.0997  0.4698  1
  Ti  Ti12  2  0.0003  0.1504  0.5010  1
  Ti  Ti13  2  0.0017  0.0486  0.5003  1
  Ti  Ti14  2  0.9968  0.3498  0.4987  1
  Ti  Ti15  2  0.9974  0.4513  0.4992  1
  Ti  Ti16  2  0.9986  0.2522  0.5006  1
  Cr  Cr17  2  0.4987  0.2517  0.0005  1
  Cr  Cr18  2  0.4987  0.4510  0.9999  1
  Cr  Cr19  2  0.4994  0.3497  0.0001  1
  Cr  Cr20  2  0.5007  0.1498  0.0002  1
  Cr  Cr21  2  0.5011  0.0488  0.0004  1
  O  O22  2  0.0709  0.0998  0.5165  1
  O  O23  2  0.0852  0.2996  0.5216  1
  O  O24  2  0.2165  0.3589  0.7771  1
  O  O25  2  0.2183  0.0410  0.7758  1
  O  O26  2  0.2206  0.4410  0.7773  1
  O  O27  2  0.2241  0.1582  0.7721  1
  O  O28  2  0.2253  0.2417  0.7769  1
  O  O29  2  0.2748  0.3577  0.2806  1
  O  O30  2  0.2766  0.4423  0.2805  1
  O  O31  2  0.2784  0.2414  0.2787  1
  O  O32  2  0.2790  0.1585  0.2835  1
  O  O33  2  0.2798  0.0415  0.2850  1
  O  O34  2  0.4150  0.2986  0.0177  1
  O  O35  2  0.4151  0.0990  0.0142  1
  O  O36  2  0.5750  0.2017  0.9826  1
  O  O37  2  0.5846  0.4007  0.9874  1
  O  O38  2  0.7192  0.3415  0.7145  1
  O  O39  2  0.7194  0.4584  0.7154  1
  O  O40  2  0.7226  0.0579  0.7196  1
  O  O41  2  0.7255  0.2586  0.7213  1
  O  O42  2  0.7295  0.1423  0.7230  1
  O  O43  2  0.7792  0.0590  0.2237  1
  O  O44  2  0.7796  0.3412  0.2267  1
  O  O45  2  0.7807  0.4589  0.2247  1
  O  O46  2  0.7836  0.2589  0.2176  1
  O  O47  2  0.7852  0.1414  0.2224  1
  O  O48  2  0.9199  0.2003  0.4864  1
  O  O49  2  0.9295  0.4001  0.4837  1
  O  O50  1  0.0852  0.5000  0.5247  1
  O  O51  1  0.4158  0.5000  0.0174  1
  O  O52  1  0.5856  0.0000  0.9832  1
  O  O53  1  0.9131  0.0000  0.4759  1
]