[CIF]
data_BaCaTiF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91487202
_cell_length_b   10.40383500
_cell_length_c   10.09196135
_cell_angle_alpha   90.00000000
_cell_angle_beta   92.74145539
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaTiF7
_chemical_formula_sum   'Ba4 Ca4 Ti4 F28'
_cell_volume   620.32183047
_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
  Ba  Ba0  1  1.36109263  7.01963394  5.07062838  1
  Ba  Ba1  1  3.82974422  1.81771644  10.04998872  1
  Ba  Ba2  1  4.07108928  3.38420106  5.00978302  1
  Ba  Ba3  1  1.60243768  8.58611856  0.03042268  1
  Ca  Ca4  1  3.74427853  6.18221885  8.24581685  1
  Ca  Ca5  1  1.44655832  0.98030135  6.87480026  1
  Ca  Ca6  1  3.98562359  9.42353365  3.20561115  1
  Ca  Ca7  1  1.68790338  4.22161615  1.83459455  1
  Ti  Ti8  1  0.73387128  3.98159967  8.14892394  1
  Ti  Ti9  1  4.69831062  6.42223533  1.93148747  1
  Ti  Ti10  1  0.97521634  1.22031783  3.10871823  1
  Ti  Ti11  1  4.45696557  9.18351717  6.97169317  1
  F  F12  1  0.56589904  5.98856187  1.09925878  1
  F  F13  1  1.86256032  9.91984860  3.74275595  1
  F  F14  1  2.45797755  3.06466808  7.49761847  1
  F  F15  1  2.97420435  7.33916692  2.58279293  1
  F  F16  1  5.17677000  5.62066145  3.61428111  1
  F  F17  1  1.38895656  2.08014277  4.83372864  1
  F  F18  1  -0.29047071  2.32664083  7.52052117  1
  F  F19  1  0.49675696  0.41874395  1.42592460  1
  F  F20  1  1.62121526  5.68590390  8.78296165  1
  F  F21  1  2.73285930  8.26658558  7.62299863  1
  F  F22  1  0.32455398  9.61719063  6.13946449  1
  F  F23  1  4.86628287  4.41527313  8.98115262  1
  F  F24  1  5.48130755  7.52855833  7.60009594  1
  F  F25  1  1.91358335  0.40592643  8.91954115  1
  F  F26  1  0.25541191  4.78317355  6.46613030  1
  F  F27  1  4.93542494  9.98509105  8.65448681  1
  F  F28  1  5.72265261  8.07719417  2.55989023  1
  F  F29  1  5.10762793  0.78664437  3.94094692  1
  F  F30  1  3.27725350  5.60784393  6.20107596  1
  F  F31  1  3.56962159  0.48398640  6.33765545  1
  F  F32  1  3.51859855  9.99790857  1.16087026  1
  F  F33  1  -0.04912565  2.87527667  2.48031547  1
  F  F34  1  2.15492841  4.79599107  3.87933544  1
  F  F35  1  4.28457040  7.28206027  0.20647707  1
  F  F36  1  4.04322534  8.32369223  5.24668277  1
  F  F37  1  1.14761151  3.12177473  9.87393434  1
  F  F38  1  3.81096664  4.71793110  1.29744975  1
  F  F39  1  2.69932261  2.13724942  2.45741277  1
[/CIF]
