data_ScTa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   129.22
_cell_angle_beta   129.22
_cell_angle_gamma   74.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Bi
_chemical_formula_sum   'Sc1 Ta2 Bi1'
_cell_volume   81.84
_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  0.0  1.0
  Ta  Ta2  1  0.23  0.0  0.06  1.0
  Ta  Ta3  1  0.0  0.0  0.13  1.0
  Bi  Bi0  1  0.0  0.23  0.06  1.0

data_ScTa2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   5.19
_cell_angle_alpha   115.39
_cell_angle_beta   115.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Bi
_chemical_formula_sum   'Sc1 Ta2 Bi1'
_cell_volume   81.84
_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  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.06  0.84  0.84  1.0
  Ta  Ta2  1  0.13  0.13  0.13  1.0
  Bi  Bi3  1  0.84  0.06  0.84  1.0

Sc Ta Ta Bi