data_BeFe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58
_cell_length_b   3.81
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   101.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFe2Rh
_chemical_formula_sum   'Be1 Fe2 Rh1'
_cell_volume   46.68
_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  0.89  0.0  0.58  1.0
  Fe  Fe1  1  0.13  0.91  0.69  1.0
  Fe  Fe2  1  0.81  0.0  0.13  1.0
  Rh  Rh3  1  0.69  0.91  0.45  1.0

data_BeFe2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   3.81
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   101.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFe2Rh
_chemical_formula_sum   'Be1 Fe2 Rh1'
_cell_volume   46.68
_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  0.89  0.0  0.58  1.0
  Fe  Fe1  1  0.13  0.91  0.69  1.0
  Fe  Fe2  1  0.81  0.0  0.13  1.0
  Rh  Rh3  1  0.69  0.91  0.45  1.0

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