data_ScCuBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   140.91
_cell_angle_beta   138.5
_cell_angle_gamma   58.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCuBi2
_chemical_formula_sum   'Sc1 Cu1 Bi2'
_cell_volume   95.03
_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  Sc3  1  0.0  0.0  0.93  1.0
  Cu  Cu2  1  0.05  0.0  0.32  1.0
  Bi  Bi0  1  0.05  0.0  0.03  1.0
  Bi  Bi1  1  0.0  0.0  0.76  1.0

data_ScCuBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.34
_cell_length_c   6.12
_cell_angle_alpha   110.75
_cell_angle_beta   109.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCuBi2
_chemical_formula_sum   'Sc1 Cu1 Bi2'
_cell_volume   95.03
_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  0.07  0.07  0.07  1.0
  Cu  Cu1  1  0.73  0.68  0.73  1.0
  Bi  Bi2  1  0.02  0.97  0.02  1.0
  Bi  Bi3  1  0.24  0.24  0.24  1.0

Sc Cu Bi Bi