data_BeIn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.67
_cell_angle_alpha   107.42
_cell_angle_beta   107.42
_cell_angle_gamma   39.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIn2Sn
_chemical_formula_sum   'Be1 In2 Sn1'
_cell_volume   90.69
_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
  In  In1  1  0.56  0.0  0.13  1.0
  In  In2  1  0.3  0.0  0.25  1.0
  Sn  Sn3  1  0.93  0.0  0.69  1.0

data_BeIn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.14
_cell_length_c   5.67
_cell_angle_alpha   107.42
_cell_angle_beta   90.0
_cell_angle_gamma   109.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIn2Sn
_chemical_formula_sum   'Be1 In2 Sn1'
_cell_volume   90.69
_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
  In  In1  1  0.0  0.44  0.87  1.0
  In  In2  1  0.0  0.7  0.75  1.0
  Sn  Sn3  1  0.0  0.07  0.31  1.0

Be In In Sn
Be In In Sn 0 3 - o - 0 2 o o o 1 2 o o o 