data_[Mn10Fe10Si12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6420]
_cell_length_b [11.8333]
_cell_length_c [6.7253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mn5Fe5Si6]
_chemical_formula_sum '[Mn10 Fe10 Si12]'
_cell_volume [369.4196]
_cell_formula_units_Z [2]
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  8  0.2501  0.1642  0.5024  1.0
  Mn  Mn1  2  0.0000  0.0000  0.7675  1.0
  Fe  Fe2  4  0.0000  0.1240  0.1195  1.0
  Fe  Fe3  4  0.5000  0.1247  0.8759  1.0
  Fe  Fe4  2  0.5000  0.0000  0.2389  1.0
  Si  Si5  4  0.0000  0.2015  0.8044  1.0
  Si  Si6  4  0.5000  0.1955  0.1953  1.0
  Si  Si7  2  0.0000  0.0000  0.3852  1.0
  Si  Si8  2  0.5000  0.0000  0.6087  1.0
]