# generated using pymatgen
data_Zr5Al3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33852433
_cell_length_b   8.33852433
_cell_length_c   5.62451100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000265
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Al3C
_chemical_formula_sum   'Zr10 Al6 C2'
_cell_volume   338.68330689
_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  0.66666700  0.33333300  0.00000000  1.0
  Zr  Zr1  1  0.33333300  0.66666700  0.00000000  1.0
  Zr  Zr2  1  0.22386000  0.00000000  0.25000000  1.0
  Zr  Zr3  1  0.00000000  0.22386000  0.25000000  1.0
  Zr  Zr4  1  0.77614000  0.77614000  0.25000000  1.0
  Zr  Zr5  1  0.66666700  0.33333300  0.50000000  1.0
  Zr  Zr6  1  0.33333300  0.66666700  0.50000000  1.0
  Zr  Zr7  1  0.77614000  0.00000000  0.75000000  1.0
  Zr  Zr8  1  0.00000000  0.77614000  0.75000000  1.0
  Zr  Zr9  1  0.22386000  0.22386000  0.75000000  1.0
  Al  Al10  1  0.59983800  0.00000000  0.25000000  1.0
  Al  Al11  1  0.00000000  0.59983800  0.25000000  1.0
  Al  Al12  1  0.40016200  0.40016200  0.25000000  1.0
  Al  Al13  1  0.40016200  0.00000000  0.75000000  1.0
  Al  Al14  1  0.00000000  0.40016200  0.75000000  1.0
  Al  Al15  1  0.59983800  0.59983800  0.75000000  1.0
  C  C16  1  0.00000000  0.00000000  0.00000000  1.0
  C  C17  1  0.00000000  0.00000000  0.50000000  1.0