# generated using pymatgen
data_Mg2Ni2AsIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71218286
_cell_length_b   4.71218272
_cell_length_c   4.93185846
_cell_angle_alpha   65.55080065
_cell_angle_beta   65.55079722
_cell_angle_gamma   63.46579533
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Ni2AsIr
_chemical_formula_sum   'Mg2 Ni2 As1 Ir1'
_cell_volume   85.59184791
_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
  Mg  Mg0  1  0.12591806  0.12591806  0.12227492  1.0
  Mg  Mg1  1  0.87408194  0.87408194  0.87772508  1.0
  Ni  Ni2  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni3  1  0.50000000  0.00000000  0.50000000  1.0
  As  As4  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir5  1  0.50000000  0.50000000  0.00000000  1.0