data_YSb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.96
_cell_length_b   9.96
_cell_length_c   9.96
_cell_angle_alpha   20.68
_cell_angle_beta   20.68
_cell_angle_gamma   20.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSb2Cl
_chemical_formula_sum   'Y1 Sb2 Cl1'
_cell_volume   107.71
_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
  Y  Y3  1  0.0  0.0  0.61  1.0
  Sb  Sb1  1  0.0  0.0  0.35  1.0
  Sb  Sb2  1  0.0  0.0  0.87  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_YSb2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.19
_cell_length_b   3.57
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   101.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YSb2Cl
_chemical_formula_sum   'Y2 Sb4 Cl2'
_cell_volume   215.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  0.0  0.0  0.39  1.0
  Sb  Sb1  2  0.0  0.0  0.13  1.0
  Sb  Sb2  2  0.0  0.0  0.65  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Y Sb Sb Cl
Y Sb Sb Cl 0 1 o o o 0 2 o o o 2 3 o o + 