data_Li2Si2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76
_cell_length_b   7.76
_cell_length_c   7.76
_cell_angle_alpha   153.68
_cell_angle_beta   153.68
_cell_angle_gamma   37.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Si2Bi
_chemical_formula_sum   'Li2 Si2 Bi1'
_cell_volume   91.71
_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
  Li  Li1  1  0.0  0.0  1.0  1.0
  Li  Li2  1  0.0  0.0  0.69  1.0
  Si  Si3  1  0.0  0.77  0.67  1.0
  Si  Si4  1  0.77  0.0  0.67  1.0
  Bi  Bi0  1  0.0  0.0  0.0  1.0

data_Li2Si2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   108.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2Si2Bi
_chemical_formula_sum   'Li4 Si4 Bi2'
_cell_volume   183.42
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Li  Li1  2  0.0  0.0  0.31  1.0
  Si  Si2  4  0.38  0.62  0.09  1.0
  Bi  Bi3  2  0.0  0.0  0.0  1.0

Li Li Si Si Bi 0 4 o o + 0 2 o - o 0 3 - o o 1 3 - o o 1 2 o - o 2 4 o + + 2 3 - + o 3 4 + o + 