data_BeCdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.4
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdRu2
_chemical_formula_sum   'Be1 Cd1 Ru2'
_cell_volume   58.11
_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
  Cd  Cd1  1  0.48  0.0  0.23  1.0
  Ru  Ru2  1  0.48  0.2  0.0  1.0
  Ru  Ru3  1  0.0  0.2  0.23  1.0

data_BeCdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.4
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdRu2
_chemical_formula_sum   'Be1 Cd1 Ru2'
_cell_volume   58.11
_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
  Cd  Cd1  1  0.48  0.0  0.23  1.0
  Ru  Ru2  1  0.0  0.2  0.23  1.0
  Ru  Ru3  1  0.48  0.2  0.0  1.0

Be Cd Ru Ru
Be Cd Ru Ru 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 