data_BeBi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   6.88
_cell_angle_alpha   106.04
_cell_angle_beta   106.04
_cell_angle_gamma   58.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBi2Ir
_chemical_formula_sum   'Be1 Bi2 Ir1'
_cell_volume   86.85
_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  0.08  0.0  0.88  1.0
  Bi  Bi2  1  0.64  0.0  0.65  1.0
  Ir  Ir3  1  0.36  0.0  0.26  1.0

data_BeBi2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.95
_cell_length_c   6.88
_cell_angle_alpha   106.04
_cell_angle_beta   90.0
_cell_angle_gamma   119.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBi2Ir
_chemical_formula_sum   'Be1 Bi2 Ir1'
_cell_volume   86.85
_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  0.0  0.36  0.35  1.0
  Bi  Bi2  1  0.0  0.92  0.12  1.0
  Ir  Ir3  1  0.0  0.64  0.74  1.0

Be Bi Bi Ir