data_Zr2RhCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2RhCl
_chemical_formula_sum   'Zr2 Rh1 Cl1'
_cell_volume   98.9
_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  0.0  0.0  0.21  1.0
  Zr  Zr3  1  0.17  0.0  0.9  1.0
  Rh  Rh1  1  0.17  0.0  0.58  1.0
  Cl  Cl0  1  0.0  0.0  0.33  1.0

data_Zr2RhCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2RhCl
_chemical_formula_sum   'Zr2 Rh1 Cl1'
_cell_volume   98.9
_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  Zr0  1  0.0  0.0  0.21  1.0
  Zr  Zr1  1  0.17  0.0  0.9  1.0
  Rh  Rh2  1  0.17  0.0  0.58  1.0
  Cl  Cl3  1  0.0  0.0  0.33  1.0

Zr Zr Rh Cl