# generated using pymatgen
data_CaGaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49320026
_cell_length_b   5.49320026
_cell_length_c   7.20549423
_cell_angle_alpha   51.45179703
_cell_angle_beta   51.45179703
_cell_angle_gamma   47.47189227
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaCu
_chemical_formula_sum   'Ca2 Ga2 Cu2'
_cell_volume   117.37154375
_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  0.55576784  0.55576784  0.69053688  1.0
  Ca  Ca1  1  0.44423216  0.44423216  0.30946312  1.0
  Ga  Ga2  1  0.82967694  0.82967694  0.10329549  1.0
  Ga  Ga3  1  0.17032306  0.17032306  0.89670451  1.0
  Cu  Cu4  1  0.16414072  0.16414072  0.26726044  1.0
  Cu  Cu5  1  0.83585928  0.83585928  0.73273956  1.0