# generated using pymatgen
data_Zr3Al2NiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.57007137
_cell_length_b   8.57007158
_cell_length_c   8.57007129
_cell_angle_alpha   59.99999733
_cell_angle_beta   59.99999652
_cell_angle_gamma   59.99999629
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Al2NiC
_chemical_formula_sum   'Zr12 Al8 Ni4 C4'
_cell_volume   445.08021837
_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
  Zr  Zr0  1  0.94388927  0.94388927  0.55611073  1.0
  Zr  Zr1  1  0.69388927  0.30611073  0.30611073  1.0
  Zr  Zr2  1  0.30611073  0.69388927  0.69388927  1.0
  Zr  Zr3  1  0.69388927  0.69388927  0.30611073  1.0
  Zr  Zr4  1  0.69388927  0.30611073  0.69388927  1.0
  Zr  Zr5  1  0.30611073  0.69388927  0.30611073  1.0
  Zr  Zr6  1  0.55611073  0.94388927  0.55611073  1.0
  Zr  Zr7  1  0.55611073  0.94388927  0.94388927  1.0
  Zr  Zr8  1  0.94388927  0.55611073  0.55611073  1.0
  Zr  Zr9  1  0.94388927  0.55611073  0.94388927  1.0
  Zr  Zr10  1  0.30611073  0.30611073  0.69388927  1.0
  Zr  Zr11  1  0.55611073  0.55611073  0.94388927  1.0
  Al  Al12  1  0.92148486  0.23554542  0.92148486  1.0
  Al  Al13  1  0.32851514  0.32851514  0.01445458  1.0
  Al  Al14  1  0.01445458  0.32851514  0.32851514  1.0
  Al  Al15  1  0.32851514  0.32851514  0.32851514  1.0
  Al  Al16  1  0.23554542  0.92148486  0.92148486  1.0
  Al  Al17  1  0.92148486  0.92148486  0.92148486  1.0
  Al  Al18  1  0.92148486  0.92148486  0.23554542  1.0
  Al  Al19  1  0.32851514  0.01445458  0.32851514  1.0
  Ni  Ni20  1  0.12500000  0.62500000  0.12500000  1.0
  Ni  Ni21  1  0.12500000  0.12500000  0.62500000  1.0
  Ni  Ni22  1  0.62500000  0.12500000  0.12500000  1.0
  Ni  Ni23  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