data_[Mn2Ni6H2]
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 [P1]
_cell_length_a [4.4370]
_cell_length_b [4.4963]
_cell_length_c [5.1294]
_cell_angle_alpha [90.4142]
_cell_angle_beta [90.1325]
_cell_angle_gamma [110.3340]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnNi3H]
_chemical_formula_sum '[Mn2 Ni6 H2]'
_cell_volume [95.9519]
_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  1  0.5656  0.4608  0.4018  1.0
  Mn  Mn1  1  0.5762  0.9742  0.6822  1.0
  Ni  Ni2  1  0.0668  0.4664  0.1473  1.0
  Ni  Ni3  1  0.0685  0.9756  0.4143  1.0
  Ni  Ni4  1  0.0725  0.4723  0.6640  1.0
  Ni  Ni5  1  0.0803  0.9831  0.9105  1.0
  Ni  Ni6  1  0.5708  0.4700  0.9003  1.0
  Ni  Ni7  1  0.5731  0.9728  0.1713  1.0
  H  H8  1  0.2882  0.7196  0.3975  1.0
  H  H9  1  0.8329  0.7389  0.1386  1.0
]