data_[Mn1Al1Mo1Ir1F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Mo  2.1600  1.4500  0.7750
  Ir  2.2000  1.3500  0.7650
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.9392]
_cell_length_b [4.7262]
_cell_length_c [6.6178]
_cell_angle_alpha [78.4567]
_cell_angle_beta [78.8953]
_cell_angle_gamma [85.6811]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnAlMoIrF]
_chemical_formula_sum '[Mn1 Al1 Mo1 Ir1 F1]'
_cell_volume [88.3179]
_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  0.7354  0.4061  0.1174  1
  Al  Al1  1  0.8723  0.0267  0.7866  1
  Mo  Mo2  1  0.5999  0.7972  0.4703  1
  Ir  Ir3  1  0.2388  0.9074  0.1124  1
  F  F4  1  0.7936  0.4156  0.6872  1
]