data_[Mn2Fe2Si4]
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 [P2_1]
_cell_length_a [4.4583]
_cell_length_b [4.4613]
_cell_length_c [4.4627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [MnFeSi2]
_chemical_formula_sum '[Mn2 Fe2 Si4]'
_cell_volume [88.7624]
_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  2  0.1350  0.3631  0.6116  1
  Fe  Fe1  2  0.3609  0.6370  0.1137  1
  Si  Si2  2  0.1602  0.1564  0.0936  1
  Si  Si3  2  0.3468  0.8434  0.5939  1
]