data_BeCdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.45
_cell_angle_alpha   107.16
_cell_angle_beta   107.16
_cell_angle_gamma   35.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdCu2
_chemical_formula_sum   'Be1 Cd1 Cu2'
_cell_volume   53.68
_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  0.82  0.0  0.34  1.0
  Cd  Cd1  1  0.39  0.0  0.1  1.0
  Cu  Cu2  1  0.41  0.0  0.03  1.0
  Cu  Cu3  1  0.03  0.0  0.12  1.0

data_BeCdCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.45
_cell_length_c   4.65
_cell_angle_alpha   107.16
_cell_angle_beta   107.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdCu2
_chemical_formula_sum   'Be1 Cd1 Cu2'
_cell_volume   53.68
_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  0.0  0.34  0.82  1.0
  Cd  Cd1  1  0.0  0.1  0.39  1.0
  Cu  Cu2  1  0.0  0.03  0.41  1.0
  Cu  Cu3  1  0.0  0.12  0.03  1.0

Be Cd Cu Cu