data_Cu2SiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SiCl
_chemical_formula_sum   'Cu2 Si1 Cl1'
_cell_volume   63.01
_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
  Cu  Cu1  1  0.58  0.0  0.65  1.0
  Cu  Cu2  1  0.58  0.0  0.77  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.71  1.0

data_Cu2SiCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.11
_cell_length_b   5.46
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2SiCl
_chemical_formula_sum   'Cu4 Si2 Cl2'
_cell_volume   126.05
_cell_formula_units_Z   2
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  2  0.0  0.0  0.0  1.0
  Cu  Cu1  2  0.08  0.5  0.65  1.0
  Cu  Cu2  2  0.08  0.5  0.77  1.0
  Cl  Cl3  2  0.0  0.0  0.71  1.0

Cu Cu Si Cl
Cu Cu Si Cl 0 1 o o o 0 3 + o o 1 2 + o + 1 2 o o + 1 3 + o o 2 3 o o - 