data_BeBi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   7.41
_cell_length_c   7.41
_cell_angle_alpha   152.07
_cell_angle_beta   150.32
_cell_angle_gamma   41.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBi2Ir
_chemical_formula_sum   'Be1 Bi2 Ir1'
_cell_volume   94.23
_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  0.51  1.0
  Bi  Bi1  1  0.79  0.0  0.14  1.0
  Bi  Bi2  1  0.0  0.0  0.45  1.0
  Ir  Ir3  1  0.79  0.0  0.71  1.0

data_BeBi2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   3.8
_cell_length_c   7.41
_cell_angle_alpha   104.84
_cell_angle_beta   103.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBi2Ir
_chemical_formula_sum   'Be1 Bi2 Ir1'
_cell_volume   94.23
_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  0.49  0.49  0.49  1.0
  Bi  Bi1  1  0.55  0.55  0.55  1.0
  Bi  Bi2  1  0.64  0.86  0.64  1.0
  Ir  Ir3  1  0.08  0.29  0.08  1.0

Be Bi Bi Ir