data_ZrInRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   137.49
_cell_angle_beta   137.49
_cell_angle_gamma   61.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInRh2
_chemical_formula_sum   'Zr1 In1 Rh2'
_cell_volume   69.52
_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  Zr3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.94  0.3  1.0
  Rh  Rh1  1  0.0  0.0  0.6  1.0
  Rh  Rh2  1  0.94  0.0  0.3  1.0

data_ZrInRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   5.36
_cell_angle_alpha   111.25
_cell_angle_beta   111.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInRh2
_chemical_formula_sum   'Zr1 In1 Rh2'
_cell_volume   69.52
_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  0.0  1.0
  In  In1  1  0.64  0.94  0.64  1.0
  Rh  Rh2  1  0.4  0.0  0.4  1.0
  Rh  Rh3  1  0.7  0.0  0.64  1.0

Zr In Rh Rh
Zr In Rh Rh 0 3 - o o 0 1 o - o 0 2 o o - 1 3 - + o 1 2 o + o 2 3 - o o 