data_Be2CdAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66
_cell_length_b   8.66
_cell_length_c   8.66
_cell_angle_alpha   18.76
_cell_angle_beta   18.76
_cell_angle_gamma   18.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CdAg
_chemical_formula_sum   'Be2 Cd1 Ag1'
_cell_volume   58.73
_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  Be1  1  0.0  0.0  0.33  1.0
  Be  Be2  1  0.0  0.0  0.7  1.0
  Cd  Cd3  1  0.0  0.0  0.96  1.0
  Ag  Ag0  1  0.0  0.0  0.8  1.0

data_Be2CdAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   2.82
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   100.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2CdAg
_chemical_formula_sum   'Be4 Cd2 Ag2'
_cell_volume   117.46
_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  0.3  1.0
  Be  Be1  2  0.0  0.0  0.67  1.0
  Cd  Cd2  2  0.0  0.0  0.04  1.0
  Ag  Ag3  2  0.0  0.0  0.2  1.0

Be Be Cd Ag
Be Be Cd Ag 0 0 o + - 0 0 + - o 0 0 + o - 0 2 o o - 0 1 o o o 1 3 o o o 2 3 o o o 