data_BeBi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.34
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   91.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBi2Ir
_chemical_formula_sum   'Be1 Bi2 Ir1'
_cell_volume   82.7
_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  0.0  1.0
  Bi  Bi1  1  0.53  0.67  0.9  1.0
  Bi  Bi2  1  0.6  0.67  0.54  1.0
  Ir  Ir3  1  0.9  0.0  0.72  1.0

data_BeBi2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   3.34
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   91.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBi2Ir
_chemical_formula_sum   'Be1 Bi2 Ir1'
_cell_volume   82.7
_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  0.0  1.0
  Bi  Bi1  1  0.53  0.67  0.9  1.0
  Bi  Bi2  1  0.6  0.67  0.54  1.0
  Ir  Ir3  1  0.9  0.0  0.72  1.0

Be Bi Bi Ir