data_[Mn6Fe6Si9]
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 [R3m]
_cell_length_a [3.8691]
_cell_length_b [3.8691]
_cell_length_c [19.0856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Mn2Fe2Si3]
_chemical_formula_sum '[Mn6 Fe6 Si9]'
_cell_volume [247.4383]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2449  1
  Mn  Mn1  3  0.0000  0.0000  0.7517  1
  Fe  Fe2  3  0.0000  0.0000  0.5039  1
  Fe  Fe3  3  0.0000  0.0000  0.9989  1
  Si  Si4  3  0.0000  0.0000  0.1229  1
  Si  Si5  3  0.0000  0.0000  0.3759  1
  Si  Si6  3  0.0000  0.0000  0.6267  1
]