data_CuSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   2.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSi2
_chemical_formula_sum   'Cu2 Si4'
_cell_volume   101.95
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.12  0.12  0.31  1.0
  Si  Si2  1  0.68  0.68  0.0  1.0
  Si  Si3  1  0.57  0.57  0.0  1.0
  Si  Si4  1  0.45  0.8  0.31  1.0
  Si  Si5  1  0.8  0.45  0.31  1.0

data_CuSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.84
_cell_length_b   8.84
_cell_length_c   2.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuSi2
_chemical_formula_sum   'Cu4 Si8'
_cell_volume   203.9
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Si  Si0  4  0.12  0.32  0.31  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Si  Si2  2  0.07  0.5  0.0  1.0
  Cu  Cu3  2  0.12  0.0  0.31  1.0
  Si  Si4  2  0.18  0.5  0.0  1.0

Cu Cu Si Si Si Si