# generated using pymatgen
data_CaGa2Ni2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.20874844
_cell_length_b   9.08277243
_cell_length_c   3.83512221
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.58947990
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa2Ni2Ir
_chemical_formula_sum   'Ca3 Ga6 Ni6 Ir3'
_cell_volume   281.66171023
_cell_formula_units_Z   3
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
  Ca  Ca0  1  0.99995944  0.99981650  0.00000000  1.0
  Ca  Ca1  1  0.65931701  0.32854841  0.50000000  1.0
  Ca  Ca2  1  0.34226841  0.67154267  0.50000000  1.0
  Ga  Ga3  1  0.68606197  0.67893280  0.50000000  1.0
  Ga  Ga4  1  0.30779369  0.99427326  0.50000000  1.0
  Ga  Ga5  1  0.01136210  0.33754295  0.50000000  1.0
  Ga  Ga6  1  0.31613666  0.31860759  0.50000000  1.0
  Ga  Ga7  1  0.67926413  0.99304078  0.50000000  1.0
  Ga  Ga8  1  0.00055917  0.67602361  0.50000000  1.0
  Ni  Ni9  1  0.00461126  0.50709426  0.00000000  1.0
  Ni  Ni10  1  0.83013127  0.64898745  0.00000000  1.0
  Ni  Ni11  1  0.34334218  0.17118524  0.00000000  1.0
  Ni  Ni12  1  0.16975662  0.81777060  0.00000000  1.0
  Ni  Ni13  1  0.65041036  0.82032019  0.00000000  1.0
  Ni  Ni14  1  0.17842900  0.35698004  0.00000000  1.0
  Ir  Ir15  1  0.50129731  0.49839750  0.00000000  1.0
  Ir  Ir16  1  0.49249924  0.99571104  0.00000000  1.0
  Ir  Ir17  1  0.82680016  0.18522713  0.00000000  1.0