data_InPt2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   149.57
_cell_angle_beta   128.36
_cell_angle_gamma   61.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPt2Rh
_chemical_formula_sum   'In1 Pt2 Rh1'
_cell_volume   66.19
_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
  In  In0  1  0.0  0.4  0.36  1.0
  Pt  Pt1  1  0.0  0.0  0.49  1.0
  Pt  Pt2  1  0.45  0.0  0.39  1.0
  Rh  Rh3  1  0.0  0.0  0.77  1.0

data_InPt2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.81
_cell_length_c   5.52
_cell_angle_alpha   115.82
_cell_angle_beta   105.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPt2Rh
_chemical_formula_sum   'In1 Pt2 Rh1'
_cell_volume   66.19
_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
  In  In0  1  0.64  0.04  0.04  1.0
  Pt  Pt1  1  0.06  0.61  0.06  1.0
  Rh  Rh2  1  0.23  0.23  0.23  1.0
  Pt  Pt3  1  0.51  0.51  0.51  1.0

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