data_[Mn4Fe4H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.4465]
_cell_length_b [4.0222]
_cell_length_c [5.1183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MnFeH]
_chemical_formula_sum '[Mn4 Fe4 H4]'
_cell_volume [91.5406]
_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  0.4132  0.7419  0.1241  1.0
  Fe  Fe1  4  0.0787  0.2458  0.6246  1.0
  H  H2  4  0.2495  0.0078  0.8772  1.0
]