# generated using pymatgen
data_CaPa(GaIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16529424
_cell_length_b   6.99469319
_cell_length_c   7.95028258
_cell_angle_alpha   89.10116727
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPa(GaIr)2
_chemical_formula_sum   'Ca2 Pa2 Ga4 Ir4'
_cell_volume   231.60262542
_cell_formula_units_Z   2
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  0.75000000  0.96806436  0.68460694  1.0
  Ca  Ca1  1  0.25000000  0.03192877  0.31535366  1.0
  Pa  Pa2  1  0.25000000  0.53174931  0.19044840  1.0
  Pa  Pa3  1  0.75000000  0.46824323  0.80957173  1.0
  Ga  Ga4  1  0.25000000  0.65900216  0.56417957  1.0
  Ga  Ga5  1  0.75000000  0.34093736  0.43561436  1.0
  Ga  Ga6  1  0.75000000  0.86716788  0.06533375  1.0
  Ga  Ga7  1  0.25000000  0.13288001  0.93482841  1.0
  Ir  Ir8  1  0.25000000  0.73825966  0.89385970  1.0
  Ir  Ir9  1  0.75000000  0.26176029  0.10629453  1.0
  Ir  Ir10  1  0.75000000  0.71244739  0.36890289  1.0
  Ir  Ir11  1  0.25000000  0.28755659  0.63100707  1.0