data_ScTcBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   141.81
_cell_angle_beta   139.45
_cell_angle_gamma   56.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTcBi
_chemical_formula_sum   'Sc1 Tc1 Bi1'
_cell_volume   60.68
_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  0.36  1.0
  Tc  Tc2  1  0.0  0.0  0.1  1.0
  Bi  Bi0  1  0.0  0.0  0.31  1.0

data_ScTcBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.7
_cell_length_c   5.34
_cell_angle_alpha   110.28
_cell_angle_beta   109.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTcBi
_chemical_formula_sum   'Sc1 Tc1 Bi1'
_cell_volume   60.68
_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  Sc0  1  0.64  0.64  0.64  1.0
  Tc  Tc1  1  0.9  0.9  0.9  1.0
  Bi  Bi2  1  0.69  0.69  0.69  1.0

Sc Tc Bi
Sc Tc Bi 0 2 o o o 1 2 o o o 