data_Sc2GaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   4.08
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   96.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GaBi
_chemical_formula_sum   'Sc2 Ga1 Bi1'
_cell_volume   90.24
_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  Sc2  1  0.45  0.04  0.49  1.0
  Sc  Sc3  1  0.14  0.04  0.1  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.62  0.0  0.3  1.0

data_Sc2GaBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.08
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   96.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GaBi
_chemical_formula_sum   'Sc2 Ga1 Bi1'
_cell_volume   90.24
_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  0.14  0.04  0.1  1.0
  Sc  Sc1  1  0.45  0.04  0.49  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.62  0.0  0.3  1.0

Sc Sc Ga Bi