data_Be2SnOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.87
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   102.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2SnOs
_chemical_formula_sum   'Be2 Sn1 Os1'
_cell_volume   55.29
_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  0.73  0.93  0.3  1.0
  Be  Be1  1  0.11  0.0  0.13  1.0
  Sn  Sn3  1  0.7  0.0  0.59  1.0
  Os  Os2  1  0.32  0.93  0.13  1.0

data_Be2SnOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.87
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   102.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2SnOs
_chemical_formula_sum   'Be2 Sn1 Os1'
_cell_volume   55.29
_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  0.11  0.0  0.13  1.0
  Be  Be1  1  0.73  0.93  0.3  1.0
  Sn  Sn2  1  0.7  0.0  0.59  1.0
  Os  Os3  1  0.32  0.93  0.13  1.0

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