data_MgBeSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   6.43
_cell_length_c   6.43
_cell_angle_alpha   30.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeSn2
_chemical_formula_sum   'Mg1 Be1 Sn2'
_cell_volume   86.97
_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
  Mg  Mg1  1  0.06  0.0  0.53  1.0
  Be  Be0  1  0.0  0.0  0.8  1.0
  Sn  Sn2  1  0.0  0.0  0.4  1.0
  Sn  Sn3  1  0.06  0.0  0.15  1.0

data_MgBeSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.12
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   105.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeSn2
_chemical_formula_sum   'Mg1 Be1 Sn2'
_cell_volume   86.97
_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
  Mg  Mg0  1  0.47  0.06  0.47  1.0
  Be  Be1  1  0.2  0.0  0.2  1.0
  Sn  Sn2  1  0.6  0.0  0.6  1.0
  Sn  Sn3  1  0.85  0.06  0.85  1.0

Mg Be Sn Sn
Mg Be Sn Sn 0 2 o o o 0 1 o o o 2 3 o o o 