data_BeCdSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   153.07
_cell_angle_beta   153.07
_cell_angle_gamma   38.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdSi
_chemical_formula_sum   'Be1 Cd1 Si1'
_cell_volume   47.41
_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  0.19  1.0
  Cd  Cd1  1  0.0  0.0  0.05  1.0
  Si  Si2  1  0.0  0.0  0.35  1.0

data_BeCdSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   109.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeCdSi
_chemical_formula_sum   'Be2 Cd2 Si2'
_cell_volume   94.82
_cell_formula_units_Z   2
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  0.0  0.0  0.81  1.0
  Cd  Cd1  2  0.0  0.0  0.95  1.0
  Si  Si2  2  0.0  0.0  0.65  1.0

Be Cd Si