data_BaBeSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92
_cell_length_b   9.92
_cell_length_c   9.92
_cell_angle_alpha   20.75
_cell_angle_beta   20.75
_cell_angle_gamma   20.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBeSn2
_chemical_formula_sum   'Ba1 Be1 Sn2'
_cell_volume   107.25
_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
  Ba  Ba0  1  0.0  0.0  0.56  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.92  1.0
  Sn  Sn3  1  0.0  0.0  0.19  1.0

data_BaBeSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.19
_cell_length_b   3.57
_cell_length_c   9.92
_cell_angle_alpha   90.0
_cell_angle_beta   102.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaBeSn2
_chemical_formula_sum   'Ba2 Be2 Sn4'
_cell_volume   214.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.0  0.0  0.44  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Sn  Sn2  2  0.0  0.0  0.08  1.0
  Sn  Sn3  2  0.0  0.0  0.81  1.0

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