data_[Mn4Co4H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.2336]
_cell_length_b [5.4171]
_cell_length_c [4.3171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [MnCoH2]
_chemical_formula_sum '[Mn4 Co4 H8]'
_cell_volume [122.3933]
_cell_formula_units_Z [4]
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  0.1397  0.1276  0.9981  1.0
  Co  Co1  4  0.0648  0.6561  0.9828  1.0
  H  H2  4  0.0407  0.6129  0.3572  1.0
  H  H3  4  0.1225  0.1001  0.4349  1.0
]