data_MgInRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   135.12
_cell_angle_beta   135.12
_cell_angle_gamma   65.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInRh2
_chemical_formula_sum   'Mg1 In1 Rh2'
_cell_volume   65.94
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.96  0.16  1.0
  Rh  Rh2  1  0.96  0.0  0.16  1.0
  Rh  Rh3  1  0.0  0.0  0.31  1.0

data_MgInRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   5.12
_cell_angle_alpha   112.44
_cell_angle_beta   112.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInRh2
_chemical_formula_sum   'Mg1 In1 Rh2'
_cell_volume   65.94
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.8  0.96  0.8  1.0
  Rh  Rh2  1  0.69  0.0  0.69  1.0
  Rh  Rh3  1  0.84  0.0  0.8  1.0

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