data_[Cr4Fe10H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2251]
_cell_length_b [3.5790]
_cell_length_c [5.7254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3831]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr2Fe5H2]
_chemical_formula_sum '[Cr4 Fe10 H4]'
_cell_volume [167.1436]
_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
[
  Cr  Cr0  4  0.0694  0.5000  0.7170  1
  Fe  Fe1  4  0.1390  0.0000  0.4334  1
  Fe  Fe2  4  0.2126  0.5000  0.1451  1
  Fe  Fe3  2  0.0000  0.0000  0.0000  1
  H  H4  4  0.2057  0.0000  0.1386  1
]