# generated using pymatgen
data_Ca(InCu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05845453
_cell_length_b   7.05845453
_cell_length_c   7.05845453
_cell_angle_alpha   135.36275082
_cell_angle_beta   98.72017130
_cell_angle_gamma   97.86397742
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(InCu)6
_chemical_formula_sum   'Ca1 In6 Cu6'
_cell_volume   228.56663372
_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
  In  In1  1  0.66297768  0.00000000  0.66297768  1.0
  In  In2  1  0.33702232  0.00000000  0.33702232  1.0
  In  In3  1  0.65782185  0.65782185  0.00000000  1.0
  In  In4  1  0.34217815  0.34217815  -0.00000000  1.0
  In  In5  1  0.18292775  0.68292775  0.50000000  1.0
  In  In6  1  0.81707225  0.31707225  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  0.23758450  0.50000000  0.73758450  1.0
  Cu  Cu12  1  0.76241550  0.50000000  0.26241550  1.0