data_[Mn10Fe4Si2Mo4]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.0032]
_cell_length_b [8.0032]
_cell_length_c [3.7979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Mn5Fe2SiMo2]
_chemical_formula_sum '[Mn10 Fe4 Si2 Mo4]'
_cell_volume [243.2574]
_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  0.0699  0.8057  0.5000  1
  Mn  Mn1  2  0.0000  0.5000  0.5000  1
  Fe  Fe2  4  0.1346  0.6346  0.0000  1
  Si  Si3  2  0.0000  0.0000  0.0000  1
  Mo  Mo4  4  0.1616  0.3384  0.0000  1
]