data_BeFeSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   133.19
_cell_angle_beta   122.42
_cell_angle_gamma   77.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeSn2
_chemical_formula_sum   'Be1 Fe1 Sn2'
_cell_volume   70.03
_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
  Fe  Fe1  1  0.0  0.0  0.82  1.0
  Sn  Sn2  1  0.94  0.0  0.83  1.0
  Sn  Sn3  1  0.0  0.36  0.99  1.0

data_BeFeSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   4.71
_cell_length_c   4.89
_cell_angle_alpha   118.79
_cell_angle_beta   113.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeSn2
_chemical_formula_sum   'Be1 Fe1 Sn2'
_cell_volume   70.03
_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
  Fe  Fe1  1  0.18  0.18  0.18  1.0
  Sn  Sn2  1  0.01  0.36  0.36  1.0
  Sn  Sn3  1  0.11  0.17  0.11  1.0

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