# generated using pymatgen
data_Ca(GaCu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58436337
_cell_length_b   6.58436278
_cell_length_c   6.58436416
_cell_angle_alpha   134.81844375
_cell_angle_beta   99.45456581
_cell_angle_gamma   97.51997836
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(GaCu)6
_chemical_formula_sum   'Ca1 Ga6 Cu6'
_cell_volume   186.91518748
_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
  Ga  Ga1  1  0.65275200  0.00000000  0.65275200  1.0
  Ga  Ga2  1  0.34724800  1.00000000  0.34724800  1.0
  Ga  Ga3  1  0.65170153  0.65170153  1.00000000  1.0
  Ga  Ga4  1  0.34829847  0.34829847  0.00000000  1.0
  Ga  Ga5  1  0.19656465  0.69656465  0.50000000  1.0
  Ga  Ga6  1  0.80343535  0.30343535  0.50000000  1.0
  Cu  Cu7  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu8  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu9  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu10  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu11  1  0.23646862  0.50000000  0.73646862  1.0
  Cu  Cu12  1  0.76353138  0.50000000  0.26353138  1.0