data_BeCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.0
_cell_length_b   9.0
_cell_length_c   9.0
_cell_angle_alpha   152.8
_cell_angle_beta   152.8
_cell_angle_gamma   38.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCd3
_chemical_formula_sum   'Be2 Cd6'
_cell_volume   152.01
_cell_formula_units_Z   2
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  0.6  1.0
  Be  Be1  1  0.0  0.0  0.37  1.0
  Cd  Cd2  1  0.0  0.12  0.0  1.0
  Cd  Cd3  1  0.12  0.0  0.0  1.0
  Cd  Cd4  1  0.12  0.0  0.24  1.0
  Cd  Cd5  1  0.0  0.12  0.24  1.0
  Cd  Cd6  1  0.0  0.0  0.85  1.0
  Cd  Cd7  1  0.0  0.0  0.12  1.0

data_BeCd3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   109.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeCd3
_chemical_formula_sum   'Be4 Cd12'
_cell_volume   304.03
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.1  0.5  0.6  1.0
  Be  Be1  2  0.37  0.0  0.37  1.0
  Cd  Cd2  4  0.18  0.06  0.13  1.0
  Cd  Cd3  4  0.44  0.44  0.88  1.0
  Cd  Cd4  2  0.12  0.0  0.12  1.0
  Cd  Cd5  2  0.35  0.5  0.85  1.0

Be Be Cd Cd Cd Cd Cd Cd