data_BeCuRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   3.56
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCuRh2
_chemical_formula_sum   'Be1 Cu1 Rh2'
_cell_volume   49.87
_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  0.6  1.0
  Cu  Cu1  1  0.35  0.78  0.85  1.0
  Rh  Rh2  1  0.0  0.0  0.13  1.0
  Rh  Rh3  1  0.35  0.78  0.4  1.0

data_BeCuRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   3.56
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCuRh2
_chemical_formula_sum   'Be1 Cu1 Rh2'
_cell_volume   49.87
_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  0.6  1.0
  Cu  Cu1  1  0.35  0.78  0.85  1.0
  Rh  Rh2  1  0.0  0.0  0.13  1.0
  Rh  Rh3  1  0.35  0.78  0.4  1.0

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