data_BeReRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.55
_cell_angle_alpha   101.53
_cell_angle_beta   101.53
_cell_angle_gamma   34.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeReRh2
_chemical_formula_sum   'Be1 Re1 Rh2'
_cell_volume   53.97
_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  0.95  0.0  0.06  1.0
  Re  Re1  1  0.45  0.0  0.45  1.0
  Rh  Rh2  1  0.91  0.0  0.28  1.0
  Rh  Rh3  1  0.42  0.0  0.34  1.0

data_BeReRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.55
_cell_length_c   4.63
_cell_angle_alpha   101.53
_cell_angle_beta   107.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeReRh2
_chemical_formula_sum   'Be1 Re1 Rh2'
_cell_volume   53.97
_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  0.06  0.95  1.0
  Re  Re1  1  0.0  0.45  0.45  1.0
  Rh  Rh2  1  0.0  0.28  0.91  1.0
  Rh  Rh3  1  0.0  0.34  0.42  1.0

Be Re Rh Rh
Be Re Rh Rh 0 2 o o o 1 3 o o o 