# generated using pymatgen
data_CaGa3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12173910
_cell_length_b   6.12173913
_cell_length_c   6.12173878
_cell_angle_alpha   140.64974472
_cell_angle_beta   140.64974815
_cell_angle_gamma   56.86807360
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa3Cu
_chemical_formula_sum   'Ca1 Ga3 Cu1'
_cell_volume   91.47564360
_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  0.00080827  0.00080827  0.00000000  1.0
  Ga  Ga1  1  0.39520128  0.39520128  0.00000000  1.0
  Ga  Ga2  1  0.74336999  0.24336999  0.50000000  1.0
  Ga  Ga3  1  0.24336999  0.74336999  0.50000000  1.0
  Cu  Cu4  1  0.61724848  0.61724848  0.00000000  1.0