data_CoBiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   129.98
_cell_angle_beta   129.98
_cell_angle_gamma   73.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBiIr2
_chemical_formula_sum   'Co1 Bi1 Ir2'
_cell_volume   63.9
_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
  Co  Co1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.03  0.93  1.0
  Ir  Ir2  1  0.03  0.0  0.93  1.0
  Ir  Ir3  1  0.0  0.0  0.86  1.0

data_CoBiIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   4.81
_cell_angle_alpha   115.01
_cell_angle_beta   115.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBiIr2
_chemical_formula_sum   'Co1 Bi1 Ir2'
_cell_volume   63.9
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.11  0.03  0.11  1.0
  Ir  Ir2  1  0.07  0.0  0.11  1.0
  Ir  Ir3  1  0.14  0.0  0.14  1.0

Co Bi Ir Ir