data_BeNb2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   3.88
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   92.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Rh
_chemical_formula_sum   'Be1 Nb2 Rh1'
_cell_volume   59.42
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.31  0.94  0.32  1.0
  Nb  Nb2  1  0.32  0.94  0.09  1.0
  Rh  Rh3  1  0.9  0.0  0.71  1.0

data_BeNb2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   3.88
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   92.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Rh
_chemical_formula_sum   'Be1 Nb2 Rh1'
_cell_volume   59.42
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.31  0.94  0.32  1.0
  Nb  Nb2  1  0.32  0.94  0.09  1.0
  Rh  Rh3  1  0.9  0.0  0.71  1.0

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