data_LaBe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   3.78
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   100.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBe2Ir
_chemical_formula_sum   'La1 Be2 Ir1'
_cell_volume   71.46
_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
  La  La3  1  0.35  0.0  0.84  1.0
  Be  Be0  1  0.41  0.89  0.63  1.0
  Be  Be1  1  0.63  0.0  0.34  1.0
  Ir  Ir2  1  0.58  0.89  0.8  1.0

data_LaBe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.78
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   100.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBe2Ir
_chemical_formula_sum   'La1 Be2 Ir1'
_cell_volume   71.46
_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
  La  La0  1  0.35  0.0  0.84  1.0
  Be  Be1  1  0.41  0.89  0.63  1.0
  Be  Be2  1  0.63  0.0  0.34  1.0
  Ir  Ir3  1  0.58  0.89  0.8  1.0

La Be Be Ir