# generated using pymatgen
data_Ca3Ga2NiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74528800
_cell_length_b   7.86625301
_cell_length_c   13.36554058
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Ga2NiIr
_chemical_formula_sum   'Ca12 Ga8 Ni4 Ir4'
_cell_volume   604.04075730
_cell_formula_units_Z   4
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  0.13450484  0.89893373  0.59860970  1.0
  Ca  Ca1  1  0.86549516  0.10106627  0.09860970  1.0
  Ca  Ca2  1  0.13450484  0.60106627  0.40139030  1.0
  Ca  Ca3  1  0.86549516  0.39893373  0.90139030  1.0
  Ca  Ca4  1  0.85588902  0.11477385  0.40156818  1.0
  Ca  Ca5  1  0.14411098  0.88522615  0.90156818  1.0
  Ca  Ca6  1  0.85588902  0.38522615  0.59843182  1.0
  Ca  Ca7  1  0.14411098  0.61477385  0.09843182  1.0
  Ca  Ca8  1  0.36280619  0.23838798  0.75194460  1.0
  Ca  Ca9  1  0.63719381  0.76161202  0.25194460  1.0
  Ca  Ca10  1  0.36280619  0.26161202  0.24805540  1.0
  Ca  Ca11  1  0.63719381  0.73838798  0.74805540  1.0
  Ga  Ga12  1  0.82839890  0.08511713  0.75804723  1.0
  Ga  Ga13  1  0.17160110  0.91488287  0.25804723  1.0
  Ga  Ga14  1  0.82839890  0.41488287  0.24195277  1.0
  Ga  Ga15  1  0.17160110  0.58511713  0.74195277  1.0
  Ga  Ga16  1  0.39296573  0.25000000  0.50000000  1.0
  Ga  Ga17  1  0.60703427  0.75000000  0.00000000  1.0
  Ga  Ga18  1  0.59548432  0.75000000  0.50000000  1.0
  Ga  Ga19  1  0.40451568  0.25000000  0.00000000  1.0
  Ni  Ni20  1  0.36670492  0.97483417  0.41435225  1.0
  Ni  Ni21  1  0.63329508  0.02516583  0.91435225  1.0
  Ni  Ni22  1  0.36670492  0.52516583  0.58564775  1.0
  Ni  Ni23  1  0.63329508  0.47483417  0.08564775  1.0
  Ir  Ir24  1  0.63093689  0.02552884  0.59340531  1.0
  Ir  Ir25  1  0.36906311  0.97447116  0.09340531  1.0
  Ir  Ir26  1  0.63093689  0.47447116  0.40659469  1.0
  Ir  Ir27  1  0.36906311  0.52552884  0.90659469  1.0