data_BeZnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.52
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   96.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnCd2
_chemical_formula_sum   'Be1 Zn1 Cd2'
_cell_volume   72.42
_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
  Zn  Zn3  1  0.29  0.0  0.52  1.0
  Cd  Cd1  1  1.0  0.26  0.8  1.0
  Cd  Cd2  1  0.58  0.26  0.24  1.0

data_BeZnCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.52
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   96.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnCd2
_chemical_formula_sum   'Be1 Zn1 Cd2'
_cell_volume   72.42
_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
  Zn  Zn1  1  0.29  0.0  0.52  1.0
  Cd  Cd2  1  0.58  0.26  0.24  1.0
  Cd  Cd3  1  1.0  0.26  0.8  1.0

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