# generated using pymatgen
data_Zr3PdC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.10909695
_cell_length_b   6.10909636
_cell_length_c   9.02634801
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   148.24863836
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3PdC
_chemical_formula_sum   'Zr6 Pd2 C2'
_cell_volume   177.27401486
_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
  Zr  Zr0  1  0.37369231  0.62630769  0.06008593  1.0
  Zr  Zr1  1  0.05819007  0.94180993  0.25000000  1.0
  Zr  Zr2  1  0.37369231  0.62630769  0.43991407  1.0
  Zr  Zr3  1  0.62630769  0.37369231  0.56008593  1.0
  Zr  Zr4  1  0.94180993  0.05819007  0.75000000  1.0
  Zr  Zr5  1  0.62630769  0.37369231  0.93991307  1.0
  Pd  Pd6  1  0.74856015  0.25143985  0.25000000  1.0
  Pd  Pd7  1  0.25143985  0.74856015  0.75000000  1.0
  C  C8  1  0.00000000  0.00000000  0.00000000  1.0
  C  C9  1  0.00000000  0.00000000  0.50000000  1.0