data_BeSn2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   3.34
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   104.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSn2Pt
_chemical_formula_sum   'Be1 Sn2 Pt1'
_cell_volume   76.18
_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
  Sn  Sn2  1  0.94  0.67  0.4  1.0
  Sn  Sn3  1  0.45  0.67  0.44  1.0
  Pt  Pt1  1  0.24  0.0  0.92  1.0

data_BeSn2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.9
_cell_length_c   6.03
_cell_angle_alpha   104.56
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSn2Pt
_chemical_formula_sum   'Be1 Sn2 Pt1'
_cell_volume   76.18
_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
  Sn  Sn1  1  0.33  0.06  0.6  1.0
  Sn  Sn2  1  0.33  0.55  0.56  1.0
  Pt  Pt3  1  0.0  0.76  0.08  1.0

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