# generated using pymatgen
data_Zr3HC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35958032
_cell_length_b   3.35958032
_cell_length_c   8.02384600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3HC2
_chemical_formula_sum   'Zr3 H1 C2'
_cell_volume   78.43018631
_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
  Zr  Zr0  1  0.00000000  0.00000000  0.50000000  1.0
  Zr  Zr1  1  0.33333300  0.66666700  0.17808500  1.0
  Zr  Zr2  1  0.66666700  0.33333300  0.82191500  1.0
  H  H3  1  0.00000000  0.00000000  0.00000000  1.0
  C  C4  1  0.33333300  0.66666700  0.67558300  1.0
  C  C5  1  0.66666700  0.33333300  0.32441700  1.0