# generated using pymatgen
data_Zr6Ti16Mn3Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83667215
_cell_length_b   8.91102013
_cell_length_c   8.83663630
_cell_angle_alpha   59.72027689
_cell_angle_beta   60.55319485
_cell_angle_gamma   59.72041648
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6Ti16Mn3Ir4
_chemical_formula_sum   'Zr6 Ti16 Mn3 Ir4'
_cell_volume   491.93368341
_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
  Zr  Zr0  1  0.69255963  0.69247342  0.30745099  1.0
  Zr  Zr1  1  0.30984167  0.69015113  0.30985800  1.0
  Zr  Zr2  1  0.69255371  0.30752394  0.30745135  1.0
  Zr  Zr3  1  0.30744037  0.30752658  0.69254901  1.0
  Zr  Zr4  1  0.69015833  0.30984887  0.69014200  1.0
  Zr  Zr5  1  0.30744629  0.69247606  0.69254865  1.0
  Ti  Ti6  1  0.88295633  0.88615433  0.34473871  1.0
  Ti  Ti7  1  0.88612080  0.34478713  0.88613307  1.0
  Ti  Ti8  1  0.34474345  0.88615634  0.88295049  1.0
  Ti  Ti9  1  0.88612049  0.88295508  0.88613555  1.0
  Ti  Ti10  1  0.11704367  0.11384567  0.65526129  1.0
  Ti  Ti11  1  0.11387920  0.65521287  0.11386693  1.0
  Ti  Ti12  1  0.65525655  0.11384366  0.11704951  1.0
  Ti  Ti13  1  0.11387951  0.11704492  0.11386445  1.0
  Ti  Ti14  1  0.67685336  0.66462244  0.99390742  1.0
  Ti  Ti15  1  0.66453076  0.99401873  0.66454045  1.0
  Ti  Ti16  1  0.99389950  0.66461612  0.67686674  1.0
  Ti  Ti17  1  0.66453153  0.67691479  0.66453424  1.0
  Ti  Ti18  1  0.32314664  0.33537756  0.00609258  1.0
  Ti  Ti19  1  0.33546924  0.00598127  0.33545955  1.0
  Ti  Ti20  1  0.00610050  0.33538388  0.32313326  1.0
  Ti  Ti21  1  0.33546847  0.32308521  0.33546576  1.0
  Mn  Mn22  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn23  1  0.50000000  0.00000000  0.50000000  1.0
  Mn  Mn24  1  0.00000000  0.50000000  0.00000000  1.0
  Ir  Ir25  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir26  1  0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir27  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir28  1  0.50000000  0.00000000  0.00000000  1.0