data_Sc4Bi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64
_cell_length_b   7.64
_cell_length_c   7.64
_cell_angle_alpha   95.12
_cell_angle_beta   95.12
_cell_angle_gamma   145.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Bi5
_chemical_formula_sum   'Sc4 Bi5'
_cell_volume   242.87
_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  Sc5  1  0.0  0.99  0.0  1.0
  Sc  Sc6  1  0.0  0.33  0.0  1.0
  Sc  Sc7  1  0.33  0.0  0.0  1.0
  Sc  Sc8  1  0.99  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.21  0.79  0.28  1.0
  Bi  Bi2  1  0.79  0.21  0.28  1.0
  Bi  Bi3  1  0.36  0.36  0.0  1.0
  Bi  Bi4  1  0.79  0.79  0.28  1.0

data_Sc4Bi5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   14.59
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   107.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc4Bi5
_chemical_formula_sum   'Sc8 Bi10'
_cell_volume   485.75
_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  4  0.01  0.01  -0.0  1.0
  Sc  Sc1  4  0.34  0.34  -0.0  1.0
  Bi  Bi2  4  0.28  0.21  0.28  1.0
  Bi  Bi3  2  0.0  0.0  0.0  1.0
  Bi  Bi4  2  0.14  0.5  -0.0  1.0
  Bi  Bi5  2  0.49  0.0  0.28  1.0

Sc Sc Sc Sc Bi Bi Bi Bi Bi
Sc Sc Sc Sc Bi Bi Bi Bi Bi 0 4 o + o 0 1 o + o 0 2 o + o 0 7 o + o 0 8 - o o 1 6 - o o 1 5 o o o 1 4 o o o 1 3 - o o 1 7 o o o 2 7 o o o 2 4 o o o 2 3 - o o 2 5 o - o 2 6 o o o 3 4 + o o 3 7 + o o 3 8 o - o 4 7 o o o 4 8 - - o 5 6 - o o 5 6 o + o 7 8 o o o 