data_ScZnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   133.96
_cell_angle_beta   128.71
_cell_angle_gamma   71.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZnSb2
_chemical_formula_sum   'Sc1 Zn1 Sb2'
_cell_volume   90.25
_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  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.45  1.0
  Sb  Sb0  1  0.0  0.37  0.21  1.0
  Sb  Sb1  1  0.14  0.0  0.24  1.0

data_ScZnSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.74
_cell_length_c   5.48
_cell_angle_alpha   115.65
_cell_angle_beta   113.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZnSb2
_chemical_formula_sum   'Sc1 Zn1 Sb2'
_cell_volume   90.25
_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
  Zn  Zn1  1  0.55  0.55  0.55  1.0
  Sb  Sb2  1  0.79  0.16  0.16  1.0
  Sb  Sb3  1  0.9  0.76  0.9  1.0

Sc Zn Sb Sb