# generated using pymatgen
data_Ca3Ga3Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81735217
_cell_length_b   8.10066583
_cell_length_c   14.78175002
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Ga3Ir2
_chemical_formula_sum   'Ca12 Ga12 Ir8'
_cell_volume   696.58148415
_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  0.88714812  0.45270346  0.10771338  1.0
  Ca  Ca1  1  0.38714812  0.04729654  0.89228662  1.0
  Ca  Ca2  1  0.61285188  0.95270346  0.39228662  1.0
  Ca  Ca3  1  0.11285188  0.54729654  0.60771338  1.0
  Ca  Ca4  1  0.11285188  0.54729654  0.89228662  1.0
  Ca  Ca5  1  0.61285188  0.95270346  0.10771338  1.0
  Ca  Ca6  1  0.38714812  0.04729654  0.60771338  1.0
  Ca  Ca7  1  0.88714812  0.45270346  0.39228662  1.0
  Ca  Ca8  1  0.38045270  0.30130006  0.25000000  1.0
  Ca  Ca9  1  0.88045270  0.19869994  0.75000000  1.0
  Ca  Ca10  1  0.11954730  0.80130006  0.25000000  1.0
  Ca  Ca11  1  0.61954730  0.69869994  0.75000000  1.0
  Ga  Ga12  1  0.92718952  0.14399786  0.25000000  1.0
  Ga  Ga13  1  0.42718952  0.35600214  0.75000000  1.0
  Ga  Ga14  1  0.57281048  0.64399786  0.25000000  1.0
  Ga  Ga15  1  0.07281048  0.85600214  0.75000000  1.0
  Ga  Ga16  1  0.37177609  0.32241654  0.03993845  1.0
  Ga  Ga17  1  0.87177609  0.17758346  0.96006155  1.0
  Ga  Ga18  1  0.12822391  0.82241654  0.46006155  1.0
  Ga  Ga19  1  0.62822391  0.67758346  0.53993845  1.0
  Ga  Ga20  1  0.62822391  0.67758346  0.96006155  1.0
  Ga  Ga21  1  0.12822391  0.82241654  0.03993845  1.0
  Ga  Ga22  1  0.87177609  0.17758346  0.53993845  1.0
  Ga  Ga23  1  0.37177609  0.32241654  0.46006155  1.0
  Ir  Ir24  1  0.10524534  0.10958298  0.09777203  1.0
  Ir  Ir25  1  0.60524534  0.39041702  0.90222797  1.0
  Ir  Ir26  1  0.39475466  0.60958298  0.40222797  1.0
  Ir  Ir27  1  0.89475466  0.89041702  0.59777203  1.0
  Ir  Ir28  1  0.89475466  0.89041702  0.90222797  1.0
  Ir  Ir29  1  0.39475466  0.60958298  0.09777203  1.0
  Ir  Ir30  1  0.60524534  0.39041702  0.59777203  1.0
  Ir  Ir31  1  0.10524534  0.10958298  0.40222797  1.0