data_Co2SiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   31.28
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SiIr
_chemical_formula_sum   'Co2 Si1 Ir1'
_cell_volume   48.73
_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  0.86  0.0  0.88  1.0
  Co  Co1  1  0.0  0.0  0.66  1.0
  Si  Si3  1  0.0  0.0  0.54  1.0
  Ir  Ir2  1  0.86  0.0  0.39  1.0

data_Co2SiIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   3.72
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   105.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SiIr
_chemical_formula_sum   'Co2 Si1 Ir1'
_cell_volume   48.73
_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  0.12  0.86  0.12  1.0
  Co  Co1  1  0.34  0.0  0.34  1.0
  Si  Si2  1  0.46  0.0  0.46  1.0
  Ir  Ir3  1  0.61  0.86  0.61  1.0

Co Co Si Ir
Co Co Si Ir 0 1 + o o 1 2 o o o 2 3 - o o 