data_BePd2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   3.75
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   101.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePd2Pt
_chemical_formula_sum   'Be1 Pd2 Pt1'
_cell_volume   55.84
_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
  Pd  Pd1  1  0.81  0.88  0.19  1.0
  Pd  Pd2  1  0.91  0.88  0.12  1.0
  Pt  Pt3  1  0.46  0.0  0.65  1.0

data_BePd2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.75
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   101.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePd2Pt
_chemical_formula_sum   'Be1 Pd2 Pt1'
_cell_volume   55.84
_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
  Pd  Pd1  1  0.81  0.88  0.19  1.0
  Pd  Pd2  1  0.91  0.88  0.12  1.0
  Pt  Pt3  1  0.46  0.0  0.65  1.0

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