data_BeSnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   134.64
_cell_angle_beta   134.64
_cell_angle_gamma   66.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSnIr2
_chemical_formula_sum   'Be1 Sn1 Ir2'
_cell_volume   59.6
_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  Sn3  1  0.0  0.9  0.06  1.0
  Ir  Ir1  1  0.9  0.0  0.06  1.0
  Ir  Ir2  1  0.0  0.0  0.13  1.0

data_BeSnIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   4.93
_cell_angle_alpha   112.68
_cell_angle_beta   112.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSnIr2
_chemical_formula_sum   'Be1 Sn1 Ir2'
_cell_volume   59.6
_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  0.83  0.9  0.83  1.0
  Ir  Ir2  1  0.87  0.0  0.87  1.0
  Ir  Ir3  1  0.94  0.0  0.83  1.0

Be Sn Ir Ir