# generated using pymatgen
data_Zr3NiAs2Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46083752
_cell_length_b   6.46083829
_cell_length_c   4.04929597
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999609
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3NiAs2Ir3
_chemical_formula_sum   'Zr3 Ni1 As2 Ir3'
_cell_volume   146.38206178
_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  0.39516464  0.39516464  0.50000000  1.0
  Zr  Zr1  1  0.60483536  0.00000000  0.50000000  1.0
  Zr  Zr2  1  1.00000000  0.60483536  0.50000000  1.0
  Ni  Ni3  1  0.00000000  0.00000000  0.50000000  1.0
  As  As4  1  0.66666700  0.33333300  0.00000000  1.0
  As  As5  1  0.33333300  0.66666700  0.00000000  1.0
  Ir  Ir6  1  0.00000000  0.23906317  0.00000000  1.0
  Ir  Ir7  1  0.23906317  0.00000000  0.00000000  1.0
  Ir  Ir8  1  0.76093683  0.76093683  0.00000000  1.0