data_[Mn4In5Fe2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2423]
_cell_length_b [2.9264]
_cell_length_c [8.9487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mn4In5Fe2]
_chemical_formula_sum '[Mn4 In5 Fe2]'
_cell_volume [189.0154]
_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  2  0.2016  0.5000  0.8491  1
  Mn  Mn1  2  0.2021  0.5000  0.4307  1
  In  In2  2  0.1399  0.0000  0.1432  1
  In  In3  2  0.4560  0.0000  0.6605  1
  In  In4  1  0.5000  0.0000  0.0000  1
  Fe  Fe5  2  0.0792  0.0000  0.6267  1
]