data_BeCd2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   133.73
_cell_angle_beta   133.73
_cell_angle_gamma   67.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCd2Pd
_chemical_formula_sum   'Be1 Cd2 Pd1'
_cell_volume   66.03
_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  0.0  1.0
  Cd  Cd1  1  0.98  0.0  0.1  1.0
  Cd  Cd2  1  0.0  0.0  0.2  1.0
  Pd  Pd3  1  0.0  0.98  0.1  1.0

data_BeCd2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   123.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeCd2Pd
_chemical_formula_sum   'Be2 Cd4 Pd2'
_cell_volume   132.05
_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  0.0  1.0
  Cd  Cd1  2  0.3  0.5  0.8  1.0
  Cd  Cd2  2  0.39  0.5  0.88  1.0
  Pd  Pd3  2  0.39  0.5  0.88  1.0

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