# generated using pymatgen
data_Ca2Al3Tc14C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90882276
_cell_length_b   6.90879716
_cell_length_c   6.90878559
_cell_angle_alpha   82.23829528
_cell_angle_beta   82.23841500
_cell_angle_gamma   82.23842237
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Al3Tc14C3
_chemical_formula_sum   'Ca2 Al3 Tc14 C3'
_cell_volume   321.45327979
_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  0.66005189  0.66004907  0.66004736  1.0
  Ca  Ca1  1  0.33994811  0.33995093  0.33995264  1.0
  Al  Al2  1  0.00000000  0.00000000  0.50000000  1.0
  Al  Al3  1  0.50000000  0.00000000  0.00000000  1.0
  Al  Al4  1  0.00000000  0.50000000  0.00000000  1.0
  Tc  Tc5  1  0.72279259  0.27720169  0.00000235  1.0
  Tc  Tc6  1  0.99999923  0.72279695  0.27720125  1.0
  Tc  Tc7  1  0.27720791  0.99999735  0.72280012  1.0
  Tc  Tc8  1  0.00000077  0.27720305  0.72279875  1.0
  Tc  Tc9  1  0.72279209  0.00000265  0.27719988  1.0
  Tc  Tc10  1  0.27720741  0.72279831  0.99999765  1.0
  Tc  Tc11  1  0.35250819  0.35251305  0.84914189  1.0
  Tc  Tc12  1  0.84913901  0.35250495  0.35250676  1.0
  Tc  Tc13  1  0.35250639  0.84914117  0.35251318  1.0
  Tc  Tc14  1  0.64749181  0.64748695  0.15085811  1.0
  Tc  Tc15  1  0.15086099  0.64749505  0.64749324  1.0
  Tc  Tc16  1  0.64749361  0.15085883  0.64748682  1.0
  Tc  Tc17  1  0.90550566  0.90549943  0.90549738  1.0
  Tc  Tc18  1  0.09449434  0.09450057  0.09450262  1.0
  C  C19  1  0.50000000  0.50000000  0.00000000  1.0
  C  C20  1  0.00000000  0.50000000  0.50000000  1.0
  C  C21  1  0.50000000  0.00000000  0.50000000  1.0