data_[Mn1Cr1Fe2H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [P2/m]
_cell_length_a [4.5762]
_cell_length_b [2.6401]
_cell_length_c [4.5833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [MnCr(FeH2)2]
_chemical_formula_sum '[Mn1 Cr1 Fe2 H4]'
_cell_volume [52.1847]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1.0
  Cr  Cr1  1  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  1  0.0000  0.5000  0.5000  1.0
  Fe  Fe3  1  0.5000  0.0000  0.5000  1.0
  H  H4  2  0.2465  0.0000  0.7391  1.0
  H  H5  2  0.2538  0.5000  0.2613  1.0
]