data_[Mn4Co4Ni8H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.3148]
_cell_length_b [5.3214]
_cell_length_c [7.4970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [MnCo(NiH2)2]
_chemical_formula_sum '[Mn4 Co4 Ni8 H16]'
_cell_volume [212.0334]
_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
  Co  Co1  4  0.2500  0.2500  0.2500  1.0
  Ni  Ni2  4  0.0000  0.0000  0.5000  1.0
  Ni  Ni3  4  0.2500  0.2500  0.7500  1.0
  H  H4  8  0.0000  0.0133  0.2576  1.0
  H  H5  8  0.2421  0.2500  0.4931  1.0
]