data_Be2SnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.75
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   91.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2SnSe
_chemical_formula_sum   'Be2 Sn1 Se1'
_cell_volume   85.99
_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  0.37  0.0  0.91  1.0
  Be  Be1  1  0.51  0.88  0.1  1.0
  Sn  Sn3  1  0.93  0.88  0.71  1.0
  Se  Se2  1  0.03  0.0  0.31  1.0

data_Be2SnSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.75
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   91.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2SnSe
_chemical_formula_sum   'Be2 Sn1 Se1'
_cell_volume   85.99
_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  0.37  0.0  0.91  1.0
  Be  Be1  1  0.51  0.88  0.1  1.0
  Sn  Sn2  1  0.93  0.88  0.71  1.0
  Se  Se3  1  0.03  0.0  0.31  1.0

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