data_LaZr2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   4.6
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZr2Rh
_chemical_formula_sum   'La1 Zr2 Rh1'
_cell_volume   89.03
_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
  La  La0  1  0.0  0.0  0.97  1.0
  Zr  Zr2  1  0.63  0.3  0.34  1.0
  Zr  Zr3  1  0.63  0.3  0.6  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0

data_LaZr2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.6
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZr2Rh
_chemical_formula_sum   'La1 Zr2 Rh1'
_cell_volume   89.03
_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
  La  La0  1  0.0  0.0  0.97  1.0
  Zr  Zr1  1  0.63  0.3  0.34  1.0
  Zr  Zr2  1  0.63  0.3  0.6  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

La Zr Zr Rh
La Zr Zr Rh 0 3 o o + 1 2 o o o 