data_BeSn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.12
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   102.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSn2Ir
_chemical_formula_sum   'Be1 Sn2 Ir1'
_cell_volume   71.95
_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
  Sn  Sn2  1  0.08  0.56  0.58  1.0
  Sn  Sn3  1  0.4  0.56  0.52  1.0
  Ir  Ir1  1  0.35  0.0  0.05  1.0

data_BeSn2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.79
_cell_length_c   6.24
_cell_angle_alpha   102.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSn2Ir
_chemical_formula_sum   'Be1 Sn2 Ir1'
_cell_volume   71.95
_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
  Sn  Sn1  1  0.44  0.6  0.48  1.0
  Sn  Sn2  1  0.44  0.92  0.42  1.0
  Ir  Ir3  1  0.0  0.65  0.95  1.0

Be Sn Sn Ir