data_ScZn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2Bi
_chemical_formula_sum   'Sc1 Zn2 Bi1'
_cell_volume   84.83
_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
  Sc  Sc1  1  0.0  0.0  0.38  1.0
  Zn  Zn2  1  0.76  0.76  0.18  1.0
  Zn  Zn3  1  0.0  0.0  0.36  1.0
  Bi  Bi0  1  0.76  0.76  0.38  1.0

data_ScZn2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScZn2Bi
_chemical_formula_sum   'Sc2 Zn4 Bi2'
_cell_volume   169.66
_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
  Sc  Sc0  2  0.0  0.0  0.38  1.0
  Zn  Zn1  2  0.0  0.0  0.36  1.0
  Zn  Zn2  2  0.26  0.5  0.18  1.0
  Bi  Bi3  2  0.26  0.5  0.38  1.0

Sc Zn Zn Bi
Sc Zn Zn Bi 0 2 o o o 0 3 - - o 1 3 o o o 2 3 - - o 