data_[Mn6H2Os2]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.1298]
_cell_length_b [5.2048]
_cell_length_c [4.5423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mn3HOs]
_chemical_formula_sum '[Mn6 H2 Os2]'
_cell_volume [97.6329]
_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  0.2408  0.0010  0.8308  1.0
  Mn  Mn1  2  0.2402  0.7500  0.3360  1.0
  Os  Os2  2  0.2443  0.2500  0.3414  1.0
  H  H3  2  0.4823  0.7500  0.0131  1.0
]