# generated using pymatgen
data_Zr3C2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41205745
_cell_length_b   3.41205780
_cell_length_c   17.54855051
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3C2S
_chemical_formula_sum   'Zr6 C4 S2'
_cell_volume   176.93129405
_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  0.00000000  0.00000000  0.00000000  1.0
  Zr  Zr1  1  0.33333300  0.66666700  0.14431691  1.0
  Zr  Zr2  1  0.33333300  0.66666700  0.35568309  1.0
  Zr  Zr3  1  0.00000000  0.00000000  0.50000000  1.0
  Zr  Zr4  1  0.66666700  0.33333500  0.64431691  1.0
  Zr  Zr5  1  0.66666700  0.33333500  0.85568309  1.0
  C  C6  1  0.66666700  0.33333500  0.07944543  1.0
  C  C7  1  0.66666700  0.33333500  0.42055457  1.0
  C  C8  1  0.33333300  0.66666700  0.57944543  1.0
  C  C9  1  0.33333300  0.66666700  0.92055457  1.0
  S  S10  1  0.00000000  0.00000000  0.25000000  1.0
  S  S11  1  0.00000000  0.00000000  0.75000000  1.0