# generated using pymatgen
data_CaTh(GaIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25836570
_cell_length_b   4.25836570
_cell_length_c   10.16723581
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTh(GaIr)4
_chemical_formula_sum   'Ca1 Th1 Ga4 Ir4'
_cell_volume   184.36938476
_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
  Ca  Ca0  1  0.50000000  0.00000000  0.74307328  1.0
  Th  Th1  1  0.00000000  0.50000000  0.26790690  1.0
  Ga  Ga2  1  0.00000000  0.00000000  0.99667011  1.0
  Ga  Ga3  1  0.50000000  0.50000000  0.99667011  1.0
  Ga  Ga4  1  0.00000000  0.50000000  0.62691636  1.0
  Ga  Ga5  1  0.50000000  0.00000000  0.37494209  1.0
  Ir  Ir6  1  0.00000000  0.00000000  0.49627850  1.0
  Ir  Ir7  1  0.50000000  0.50000000  0.49627850  1.0
  Ir  Ir8  1  0.00000000  0.50000000  0.86832660  1.0
  Ir  Ir9  1  0.50000000  0.00000000  0.13293756  1.0