data_BeSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   125.87
_cell_angle_beta   125.87
_cell_angle_gamma   80.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSb2Pd
_chemical_formula_sum   'Be1 Sb2 Pd1'
_cell_volume   77.66
_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
  Sb  Sb2  1  0.0  0.26  0.9  1.0
  Sb  Sb3  1  0.26  0.0  0.9  1.0
  Pd  Pd1  1  0.0  0.0  0.8  1.0

data_BeSb2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   130.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeSb2Pd
_chemical_formula_sum   'Be2 Sb4 Pd2'
_cell_volume   155.31
_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
  Sb  Sb1  4  0.37  0.37  0.64  1.0
  Pd  Pd2  2  0.0  0.0  0.8  1.0

Be Sb Sb Pd
Be Sb Sb Pd 0 3 o o - 1 3 o o o 2 3 o o o 