data_CuSiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   6.77
_cell_angle_alpha   105.89
_cell_angle_beta   105.89
_cell_angle_gamma   55.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSiBi2
_chemical_formula_sum   'Cu1 Si1 Bi2'
_cell_volume   93.69
_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  Cu2  1  0.66  0.0  0.22  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.28  0.0  0.74  1.0
  Bi  Bi1  1  0.04  0.0  0.7  1.0

data_CuSiBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.2
_cell_length_c   6.77
_cell_angle_alpha   105.89
_cell_angle_beta   90.0
_cell_angle_gamma   117.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSiBi2
_chemical_formula_sum   'Cu1 Si1 Bi2'
_cell_volume   93.69
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.34  0.78  1.0
  Bi  Bi2  1  0.0  0.72  0.26  1.0
  Bi  Bi3  1  0.0  0.96  0.3  1.0

Cu Si Bi Bi