data_CrSi2Ir
_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   136.17
_cell_angle_beta   136.17
_cell_angle_gamma   63.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Ir
_chemical_formula_sum   'Cr1 Si2 Ir1'
_cell_volume   52.51
_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
  Cr  Cr0  1  0.0  0.0  0.08  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.79  0.0  0.04  1.0
  Ir  Ir1  1  0.0  0.79  0.04  1.0

data_CrSi2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   4.81
_cell_angle_alpha   111.91
_cell_angle_beta   111.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Ir
_chemical_formula_sum   'Cr1 Si2 Ir1'
_cell_volume   52.51
_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
  Cr  Cr0  1  0.08  0.08  0.08  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.04  0.25  0.25  1.0
  Ir  Ir3  1  0.25  0.04  0.25  1.0

Cr Si Si Ir