# generated using pymatgen
data_Ca(AlGa)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24140278
_cell_length_b   4.24140280
_cell_length_c   6.25264533
_cell_angle_alpha   109.82623388
_cell_angle_beta   109.82624221
_cell_angle_gamma   90.00001410
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(AlGa)2
_chemical_formula_sum   'Ca1 Al2 Ga2'
_cell_volume   98.69796214
_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  0.00000000  -0.00000000  0.00000000  1.0
  Al  Al1  1  0.25000000  0.75000000  0.50000000  1.0
  Al  Al2  1  0.75000000  0.25000000  0.50000000  1.0
  Ga  Ga3  1  0.38735508  0.38735508  0.77471116  1.0
  Ga  Ga4  1  0.61264492  0.61264492  0.22528884  1.0