data_Be2CdSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   5.95
_cell_angle_alpha   101.14
_cell_angle_beta   101.14
_cell_angle_gamma   53.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CdSb
_chemical_formula_sum   'Be2 Cd1 Sb1'
_cell_volume   70.21
_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  0.61  0.0  0.25  1.0
  Be  Be1  1  0.79  0.0  0.99  1.0
  Cd  Cd2  1  0.88  0.0  0.36  1.0
  Sb  Sb3  1  0.78  0.0  0.92  1.0

data_Be2CdSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.87
_cell_length_c   5.95
_cell_angle_alpha   101.14
_cell_angle_beta   90.0
_cell_angle_gamma   116.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CdSb
_chemical_formula_sum   'Be2 Cd1 Sb1'
_cell_volume   70.21
_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  0.21  0.01  1.0
  Be  Be1  1  0.0  0.39  0.75  1.0
  Cd  Cd2  1  0.0  0.12  0.64  1.0
  Sb  Sb3  1  0.0  0.22  0.08  1.0

Be Be Cd Sb