data_BeZnSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.85
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   103.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnSn2
_chemical_formula_sum   'Be1 Zn1 Sn2'
_cell_volume   81.85
_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
  Zn  Zn3  1  0.85  0.0  0.28  1.0
  Sn  Sn1  1  0.18  0.93  0.5  1.0
  Sn  Sn2  1  0.52  0.93  0.07  1.0

data_BeZnSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.85
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   103.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnSn2
_chemical_formula_sum   'Be1 Zn1 Sn2'
_cell_volume   81.85
_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
  Zn  Zn1  1  0.85  0.0  0.28  1.0
  Sn  Sn2  1  0.18  0.93  0.5  1.0
  Sn  Sn3  1  0.52  0.93  0.07  1.0

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