data_BeBi2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.7
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   92.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBi2Pt
_chemical_formula_sum   'Be1 Bi2 Pt1'
_cell_volume   86.06
_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
  Bi  Bi1  1  0.52  0.85  0.64  1.0
  Bi  Bi2  1  0.7  0.85  0.98  1.0
  Pt  Pt3  1  0.85  0.0  0.31  1.0

data_BeBi2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   3.7
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   92.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBi2Pt
_chemical_formula_sum   'Be1 Bi2 Pt1'
_cell_volume   86.06
_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
  Bi  Bi1  1  0.52  0.85  0.64  1.0
  Bi  Bi2  1  0.7  0.85  0.98  1.0
  Pt  Pt3  1  0.85  0.0  0.31  1.0

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