# generated using pymatgen
data_Zr3Al3Ni3H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75698058
_cell_length_b   6.75698058
_cell_length_c   3.71337400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000566
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Al3Ni3H2
_chemical_formula_sum   'Zr3 Al3 Ni3 H2'
_cell_volume   146.82656561
_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  0.40607200  0.40607200  0.50000000  1.0
  Zr  Zr1  1  0.59392800  0.00000000  0.50000000  1.0
  Zr  Zr2  1  0.00000000  0.59392800  0.50000000  1.0
  Al  Al3  1  0.75298800  0.75298800  0.00000000  1.0
  Al  Al4  1  0.24701200  0.00000000  0.00000000  1.0
  Al  Al5  1  0.00000000  0.24701200  0.00000000  1.0
  Ni  Ni6  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni7  1  0.66666700  0.33333300  0.00000000  1.0
  Ni  Ni8  1  0.33333300  0.66666700  0.00000000  1.0
  H  H9  1  0.33333300  0.66666700  0.50000000  1.0
  H  H10  1  0.66666700  0.33333300  0.50000000  1.0