data_ZrMoRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.91
_cell_angle_alpha   99.47
_cell_angle_beta   99.47
_cell_angle_gamma   34.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMoRh2
_chemical_formula_sum   'Zr1 Mo1 Rh2'
_cell_volume   65.77
_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  0.24  0.0  0.25  1.0
  Mo  Mo0  1  0.79  0.0  0.87  1.0
  Rh  Rh1  1  0.2  0.0  0.66  1.0
  Rh  Rh2  1  0.76  0.0  0.3  1.0

data_ZrMoRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.91
_cell_length_c   4.92
_cell_angle_alpha   99.47
_cell_angle_beta   107.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMoRh2
_chemical_formula_sum   'Zr1 Mo1 Rh2'
_cell_volume   65.77
_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  0.25  0.24  1.0
  Mo  Mo1  1  0.0  0.87  0.79  1.0
  Rh  Rh2  1  0.0  0.3  0.76  1.0
  Rh  Rh3  1  0.0  0.66  0.2  1.0

Zr Mo Rh Rh