data_[Mn4Ni4H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8387]
_cell_length_b [2.7043]
_cell_length_c [4.5901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2Ni2H3]
_chemical_formula_sum '[Mn4 Ni4 H6]'
_cell_volume [107.0353]
_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
[
  Mn  Mn0  4  0.1228  0.5000  0.8539  1.0
  Ni  Ni1  4  0.1226  0.0000  0.3693  1.0
  H  H2  4  0.2478  0.0000  0.7534  1.0
  H  H3  2  0.0000  0.0000  0.0000  1.0
]