data_BeFeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   4.55
_cell_angle_alpha   100.87
_cell_angle_beta   100.87
_cell_angle_gamma   35.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeRh2
_chemical_formula_sum   'Be1 Fe1 Rh2'
_cell_volume   48.43
_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
  Fe  Fe1  1  0.66  0.0  0.23  1.0
  Rh  Rh2  1  0.89  0.0  0.09  1.0
  Rh  Rh3  1  0.42  0.0  0.37  1.0

data_BeFeRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.32
_cell_length_c   4.55
_cell_angle_alpha   100.87
_cell_angle_beta   90.0
_cell_angle_gamma   107.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeRh2
_chemical_formula_sum   'Be1 Fe1 Rh2'
_cell_volume   48.43
_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
  Fe  Fe1  1  0.0  0.34  0.77  1.0
  Rh  Rh2  1  0.0  0.11  0.91  1.0
  Rh  Rh3  1  0.0  0.58  0.63  1.0

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