data_MgNb2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNb2Rh
_chemical_formula_sum   'Mg1 Nb2 Rh1'
_cell_volume   68.88
_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  0.39  1.0
  Nb  Nb1  1  0.85  0.0  0.45  1.0
  Nb  Nb2  1  0.0  0.0  0.19  1.0
  Rh  Rh3  1  0.85  0.0  0.29  1.0

data_MgNb2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNb2Rh
_chemical_formula_sum   'Mg1 Nb2 Rh1'
_cell_volume   68.88
_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  0.39  1.0
  Nb  Nb1  1  0.0  0.0  0.19  1.0
  Nb  Nb2  1  0.85  0.0  0.45  1.0
  Rh  Rh3  1  0.85  0.0  0.29  1.0

Mg Nb Nb Rh
Mg Nb Nb Rh 0 1 - o o 0 3 - o o 2 3 - o o 