# generated using pymatgen
data_Ca3Al7Cu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.13917997
_cell_length_b   9.13917997
_cell_length_c   9.13917989
_cell_angle_alpha   35.36963118
_cell_angle_beta   35.36963147
_cell_angle_gamma   35.36962834
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Al7Cu2
_chemical_formula_sum   'Ca3 Al7 Cu2'
_cell_volume   228.51847534
_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
  Ca  Ca1  1  0.14317709  0.14317709  0.14317709  1.0
  Ca  Ca2  1  0.85682291  0.85682291  0.85682291  1.0
  Al  Al3  1  0.50000000  0.50000000  0.50000000  1.0
  Al  Al4  1  0.57829290  0.07302806  0.57829290  1.0
  Al  Al5  1  0.57829290  0.57829290  0.07302806  1.0
  Al  Al6  1  0.07302806  0.57829290  0.57829290  1.0
  Al  Al7  1  0.92697194  0.42170710  0.42170710  1.0
  Al  Al8  1  0.42170710  0.92697194  0.42170710  1.0
  Al  Al9  1  0.42170710  0.42170710  0.92697194  1.0
  Cu  Cu10  1  0.33483932  0.33483932  0.33483932  1.0
  Cu  Cu11  1  0.66516068  0.66516068  0.66516068  1.0