data_[Mn8Fe4Co4H16]
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
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.2328]
_cell_length_b [5.2905]
_cell_length_c [7.5741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Mn2FeCoH4]
_chemical_formula_sum '[Mn8 Fe4 Co4 H16]'
_cell_volume [209.6809]
_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
  Mn  Mn1  4  0.2500  0.2500  0.2500  1.0
  Fe  Fe2  4  0.0000  0.0000  0.5000  1.0
  Co  Co3  4  0.2500  0.2500  0.7500  1.0
  H  H4  8  0.0000  0.0017  0.7469  1.0
  H  H5  8  0.2477  0.7500  0.5008  1.0
]