data_[Mn1Cr2Ir9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6867]
_cell_length_b [6.0087]
_cell_length_c [6.0506]
_cell_angle_alpha [84.1441]
_cell_angle_beta [82.9368]
_cell_angle_gamma [83.0638]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnCr2Ir9]
_chemical_formula_sum '[Mn1 Cr2 Ir9]'
_cell_volume [167.1991]
_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
[
  Mn  Mn0  1  0.0000  0.0000  0.0000  1
  Cr  Cr1  2  0.2514  0.9146  0.5812  1
  Ir  Ir2  2  0.0000  0.6804  0.3315  1
  Ir  Ir3  2  0.2471  0.5911  0.9133  1
  Ir  Ir4  2  0.2482  0.2381  0.2596  1
  Ir  Ir5  2  0.4974  0.1616  0.8283  1
  Ir  Ir6  1  0.5000  0.5000  0.5000  1
]