data_[Mn2H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.3792]
_cell_length_b [2.5845]
_cell_length_c [21.2392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnH3]
_chemical_formula_sum '[Mn2 H6]'
_cell_volume [240.3866]
_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  0.3031  0.5000  0.6333  1
  Mn  Mn1  1  0.8031  0.0000  0.6332  1
  H  H2  2  0.0521  0.1450  0.3395  1
  H  H3  2  0.5515  0.3550  0.4397  1
  H  H4  1  0.4668  0.0000  0.5876  1
  H  H5  1  0.9672  0.5000  0.5875  1
]