data_Zr2SbCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   5.01
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   105.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SbCl
_chemical_formula_sum   'Zr2 Sb1 Cl1'
_cell_volume   88.95
_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
  Zr  Zr2  1  0.19  0.0  0.01  1.0
  Zr  Zr3  1  0.82  0.51  0.8  1.0
  Sb  Sb1  1  0.23  0.51  0.45  1.0
  Cl  Cl0  1  0.77  0.0  0.13  1.0

data_Zr2SbCl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.17
_cell_length_b   5.01
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   105.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Zr2SbCl
_chemical_formula_sum   'Zr2 Sb1 Cl1'
_cell_volume   88.95
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Zr  Zr0  1  0.19  0.0  0.01  1.0
  Zr  Zr1  1  0.82  0.5  0.8  1.0
  Sb  Sb2  1  0.23  0.5  0.45  1.0
  Cl  Cl3  1  0.77  0.0  0.13  1.0

Zr Zr Sb Cl