data_BeFeSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   42.75
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeSn2
_chemical_formula_sum   'Be1 Fe1 Sn2'
_cell_volume   65.89
_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  0.93  1.0
  Fe  Fe1  1  0.9  0.0  0.13  1.0
  Sn  Sn2  1  0.0  0.0  0.18  1.0
  Sn  Sn3  1  0.9  0.0  0.89  1.0

data_BeFeSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.79
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   111.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeSn2
_chemical_formula_sum   'Be1 Fe1 Sn2'
_cell_volume   65.89
_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  0.07  0.0  0.07  1.0
  Fe  Fe1  1  0.87  0.9  0.87  1.0
  Sn  Sn2  1  0.11  0.9  0.11  1.0
  Sn  Sn3  1  0.82  0.0  0.82  1.0

Be Fe Sn Sn