data_BeCd2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   4.63
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCd2Si
_chemical_formula_sum   'Be1 Cd2 Si1'
_cell_volume   73.51
_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  0.0  0.32  0.4  1.0
  Cd  Cd2  1  0.65  0.32  0.0  1.0
  Si  Si3  1  0.65  0.0  0.4  1.0

data_BeCd2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.63
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCd2Si
_chemical_formula_sum   'Be1 Cd2 Si1'
_cell_volume   73.51
_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  -0.0  0.32  0.4  1.0
  Cd  Cd2  1  0.65  0.32  0.0  1.0
  Si  Si3  1  0.65  0.0  0.4  1.0

Be Cd Cd Si
Be Cd Cd Si 0 3 - o o 0 2 - o o 1 3 - o o 1 2 - o o 