data_ScSb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   4.76
_cell_angle_alpha   105.05
_cell_angle_beta   105.05
_cell_angle_gamma   34.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSb2Cl
_chemical_formula_sum   'Sc1 Sb2 Cl1'
_cell_volume   99.94
_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  0.32  0.0  0.29  1.0
  Sb  Sb1  1  0.69  0.0  0.25  1.0
  Sb  Sb2  1  0.94  0.0  0.33  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ScSb2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   4.76
_cell_length_c   6.24
_cell_angle_alpha   105.05
_cell_angle_beta   107.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSb2Cl
_chemical_formula_sum   'Sc1 Sb2 Cl1'
_cell_volume   99.94
_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  0.29  0.32  1.0
  Sb  Sb1  1  0.0  0.25  0.69  1.0
  Sb  Sb2  1  0.0  0.33  0.94  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sc Sb Sb Cl
Sc Sb Sb Cl 0 3 o o o 0 2 - o o 0 1 o o o 1 2 o o o 2 3 + o o 