data_ScCuSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   4.31
_cell_angle_alpha   100.37
_cell_angle_beta   100.37
_cell_angle_gamma   39.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCuSb2
_chemical_formula_sum   'Sc1 Cu1 Sb2'
_cell_volume   86.16
_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  0.14  0.0  0.53  1.0
  Cu  Cu0  1  0.63  0.0  0.73  1.0
  Sb  Sb1  1  0.34  0.0  0.31  1.0
  Sb  Sb2  1  0.15  0.0  0.77  1.0

data_ScCuSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.31
_cell_length_c   5.64
_cell_angle_alpha   100.37
_cell_angle_beta   109.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCuSb2
_chemical_formula_sum   'Sc1 Cu1 Sb2'
_cell_volume   86.16
_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  0.53  0.14  1.0
  Cu  Cu1  1  0.0  0.73  0.63  1.0
  Sb  Sb2  1  0.0  0.31  0.34  1.0
  Sb  Sb3  1  0.0  0.77  0.15  1.0

Sc Cu Sb Sb