data_LiBeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   3.98
_cell_angle_alpha   113.33
_cell_angle_beta   113.33
_cell_angle_gamma   33.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeIr2
_chemical_formula_sum   'Li1 Be1 Ir2'
_cell_volume   48.06
_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
  Li  Li3  1  0.8  0.0  0.81  1.0
  Be  Be0  1  0.62  0.0  0.84  1.0
  Ir  Ir1  1  0.07  0.0  0.08  1.0
  Ir  Ir2  1  0.19  0.0  0.7  1.0

data_LiBeIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.98
_cell_length_c   4.92
_cell_angle_alpha   113.33
_cell_angle_beta   106.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeIr2
_chemical_formula_sum   'Li1 Be1 Ir2'
_cell_volume   48.06
_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
  Li  Li0  1  0.0  0.81  0.8  1.0
  Be  Be1  1  0.0  0.84  0.62  1.0
  Ir  Ir2  1  0.0  0.08  0.07  1.0
  Ir  Ir3  1  0.0  0.7  0.19  1.0

Li Be Ir Ir