data_[Mn2Ni6H12]
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 [P2_1/m]
_cell_length_a [6.8972]
_cell_length_b [2.6887]
_cell_length_c [6.9757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mn(NiH2)3]
_chemical_formula_sum '[Mn2 Ni6 H12]'
_cell_volume [124.4940]
_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  2  0.3113  0.2500  0.9173  1.0
  Ni  Ni1  2  0.1007  0.7500  0.1553  1.0
  Ni  Ni2  2  0.1719  0.2500  0.5121  1.0
  Ni  Ni3  2  0.4819  0.2500  0.3135  1.0
  H  H4  2  0.0306  0.7500  0.3810  1.0
  H  H5  2  0.1064  0.7500  0.9143  1.0
  H  H6  2  0.2246  0.2500  0.2727  1.0
  H  H7  2  0.2725  0.7500  0.7055  1.0
  H  H8  2  0.4237  0.2500  0.5418  1.0
  H  H9  2  0.4312  0.7500  0.1043  1.0
]