# generated using pymatgen
data_CaCu4Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96578208
_cell_length_b   4.96578178
_cell_length_c   4.01758609
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.01748214
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCu4Si
_chemical_formula_sum   'Ca1 Cu4 Si1'
_cell_volume   88.25794662
_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  0.00002211  0.00002211  0.00000000  1.0
  Cu  Cu1  1  0.65595256  0.34407827  0.00000000  1.0
  Cu  Cu2  1  0.34407827  0.65595256  0.00000000  1.0
  Cu  Cu3  1  0.50001149  0.00001460  0.50000100  1.0
  Cu  Cu4  1  0.00001460  0.50001149  0.50000100  1.0
  Si  Si5  1  0.50001899  0.50001799  0.50000100  1.0