data_YBeCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   143.05
_cell_angle_beta   128.12
_cell_angle_gamma   65.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeCd
_chemical_formula_sum   'Y1 Be1 Cd1'
_cell_volume   63.45
_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
  Y  Y2  1  0.0  0.0  0.91  1.0
  Be  Be0  1  0.0  0.0  0.57  1.0
  Cd  Cd1  1  0.0  0.0  0.82  1.0

data_YBeCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.5
_cell_length_c   5.14
_cell_angle_alpha   115.94
_cell_angle_beta   108.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeCd
_chemical_formula_sum   'Y1 Be1 Cd1'
_cell_volume   63.45
_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
  Y  Y0  1  0.0  0.91  0.91  1.0
  Be  Be1  1  0.0  0.57  0.57  1.0
  Cd  Cd2  1  0.0  0.82  0.82  1.0

Y Be Cd
Y Be Cd 0 2 o o o 1 2 o o o 