data_BeSnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   144.12
_cell_angle_beta   139.21
_cell_angle_gamma   55.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSnIr
_chemical_formula_sum   'Be1 Sn1 Ir1'
_cell_volume   45.35
_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  0.3  1.0
  Sn  Sn2  1  0.0  0.0  0.87  1.0
  Ir  Ir1  1  0.0  0.0  0.54  1.0

data_BeSnIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.43
_cell_length_c   4.92
_cell_angle_alpha   110.4
_cell_angle_beta   107.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSnIr
_chemical_formula_sum   'Be1 Sn1 Ir1'
_cell_volume   45.35
_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  0.3  0.3  1.0
  Sn  Sn1  1  0.0  0.87  0.87  1.0
  Ir  Ir2  1  0.0  0.54  0.54  1.0

Be Sn Ir