data_Mg2NiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   3.94
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NiRh
_chemical_formula_sum   'Mg2 Ni1 Rh1'
_cell_volume   61.17
_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  0.27  1.0
  Mg  Mg1  1  0.42  0.97  0.52  1.0
  Ni  Ni2  1  0.0  0.0  0.71  1.0
  Rh  Rh3  1  0.42  0.97  0.12  1.0

data_Mg2NiRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.94
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NiRh
_chemical_formula_sum   'Mg2 Ni1 Rh1'
_cell_volume   61.17
_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  0.27  1.0
  Mg  Mg1  1  0.42  0.97  0.52  1.0
  Ni  Ni2  1  0.0  0.0  0.71  1.0
  Rh  Rh3  1  0.42  0.97  0.12  1.0

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