data_BeZn2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.15
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   94.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZn2Cd
_chemical_formula_sum   'Be1 Zn2 Cd1'
_cell_volume   61.57
_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  0.55  0.0  0.52  1.0
  Zn  Zn2  1  0.14  0.0  0.59  1.0
  Zn  Zn3  1  0.65  0.07  0.88  1.0
  Cd  Cd1  1  0.22  0.07  0.47  1.0

data_BeZn2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.15
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   94.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZn2Cd
_chemical_formula_sum   'Be1 Zn2 Cd1'
_cell_volume   61.57
_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  0.55  0.0  0.52  1.0
  Zn  Zn1  1  0.14  0.0  0.59  1.0
  Zn  Zn2  1  0.65  0.07  0.88  1.0
  Cd  Cd3  1  0.22  0.07  0.47  1.0

Be Zn Zn Cd