data_[Mn4Fe16B8P4]
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
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.4991]
_cell_length_b [5.4991]
_cell_length_c [10.2145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [MnFe4B2P]
_chemical_formula_sum '[Mn4 Fe16 B8 P4]'
_cell_volume [308.8918]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1.0
  Fe  Fe1  16  0.1693  0.3307  0.6392  1.0
  B  B2  8  0.1184  0.6184  0.5000  1.0
  P  P3  4  0.0000  0.0000  0.2500  1.0
]