data_[Mn4Co4H12]
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 [P2_1/c]
_cell_length_a [5.8481]
_cell_length_b [4.3389]
_cell_length_c [5.4116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4288]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MnCoH3]
_chemical_formula_sum '[Mn4 Co4 H12]'
_cell_volume [121.8789]
_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  0.3728  0.7445  0.0606  1.0
  Co  Co1  4  0.0791  0.2490  0.9142  1.0
  H  H2  4  0.1721  0.0008  0.2019  1.0
  H  H3  4  0.1791  0.5051  0.2251  1.0
  H  H4  4  0.4135  0.1822  0.5838  1.0
]