# generated using pymatgen
data_Ti3Al2PtC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20808613
_cell_length_b   8.20796157
_cell_length_c   8.20803767
_cell_angle_alpha   59.99976419
_cell_angle_beta   60.00029221
_cell_angle_gamma   60.00000502
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al2PtC
_chemical_formula_sum   'Ti12 Al8 Pt4 C4'
_cell_volume   391.02251440
_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
  Ti  Ti0  1  0.93489181  0.93494575  0.56508223  1.0
  Ti  Ti1  1  0.68491742  0.31506805  0.31508255  1.0
  Ti  Ti2  1  0.31511434  0.68492139  0.68491787  1.0
  Ti  Ti3  1  0.68491817  0.68493360  0.31508877  1.0
  Ti  Ti4  1  0.68491839  0.31508172  0.68493151  1.0
  Ti  Ti5  1  0.31510035  0.68491918  0.31506198  1.0
  Ti  Ti6  1  0.56508161  0.93491828  0.56506849  1.0
  Ti  Ti7  1  0.56508258  0.93493195  0.93491745  1.0
  Ti  Ti8  1  0.93488566  0.56507861  0.56508213  1.0
  Ti  Ti9  1  0.93489965  0.56508082  0.93493802  1.0
  Ti  Ti10  1  0.31510819  0.31505425  0.68491777  1.0
  Ti  Ti11  1  0.56508183  0.56506640  0.93491123  1.0
  Al  Al12  1  0.91501773  0.25493062  0.91502320  1.0
  Al  Al13  1  0.33498290  0.33497925  0.99506529  1.0
  Al  Al14  1  0.99506020  0.33498230  0.33498136  1.0
  Al  Al15  1  0.33498162  0.33497720  0.33497570  1.0
  Al  Al16  1  0.25493980  0.91501770  0.91501864  1.0
  Al  Al17  1  0.91501838  0.91502280  0.91502430  1.0
  Al  Al18  1  0.91501710  0.91502075  0.25493471  1.0
  Al  Al19  1  0.33498227  0.99506938  0.33497680  1.0
  Pt  Pt20  1  0.12500000  0.62500000  0.12500000  1.0
  Pt  Pt21  1  0.12500000  0.12500000  0.62500000  1.0
  Pt  Pt22  1  0.62500000  0.12500000  0.12500000  1.0
  Pt  Pt23  1  0.12500000  0.12500000  0.12500000  1.0
  C  C24  1  0.62500000  0.12500000  0.62500000  1.0
  C  C25  1  0.62500000  0.62500000  0.12500000  1.0
  C  C26  1  0.12500000  0.62500000  0.62500000  1.0
  C  C27  1  0.62500000  0.62500000  0.62500000  1.0