data_YBe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   129.53
_cell_angle_beta   129.53
_cell_angle_gamma   74.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBe2Ir
_chemical_formula_sum   'Y1 Be2 Ir1'
_cell_volume   61.95
_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
  Y  Y3  1  0.0  0.0  0.79  1.0
  Be  Be0  1  0.0  0.02  0.89  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.02  0.0  0.89  1.0

data_YBe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   4.74
_cell_angle_alpha   115.23
_cell_angle_beta   115.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBe2Ir
_chemical_formula_sum   'Y1 Be2 Ir1'
_cell_volume   61.95
_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
  Y  Y0  1  0.21  0.0  0.21  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.13  0.02  0.13  1.0
  Ir  Ir3  1  0.11  0.0  0.13  1.0

Y Be Be Ir