# generated using pymatgen
data_Ca2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12390800
_cell_length_b   6.06484848
_cell_length_c   14.65520553
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Cu
_chemical_formula_sum   'Ca8 Cu4'
_cell_volume   366.53954535
_cell_formula_units_Z   4
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  0.75000000  0.63030299  0.33458612  1.0
  Ca  Ca1  1  0.25000000  0.36969601  0.66541388  1.0
  Ca  Ca2  1  0.75000000  0.13030299  0.16541388  1.0
  Ca  Ca3  1  0.25000000  0.86969701  0.83458612  1.0
  Ca  Ca4  1  0.75000000  0.86663257  0.59136008  1.0
  Ca  Ca5  1  0.25000000  0.13336743  0.40863992  1.0
  Ca  Ca6  1  0.75000000  0.36663257  0.90863992  1.0
  Ca  Ca7  1  0.25000000  0.63336743  0.09136008  1.0
  Cu  Cu8  1  0.75000000  0.89767863  0.98539292  1.0
  Cu  Cu9  1  0.25000000  0.10232137  0.01460708  1.0
  Cu  Cu10  1  0.75000000  0.39767863  0.51460708  1.0
  Cu  Cu11  1  0.25000000  0.60232137  0.48539292  1.0