data_[Mn2Co2H6]
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 [Pmmn]
_cell_length_a [2.7762]
_cell_length_b [3.9514]
_cell_length_c [5.7078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [MnCoH3]
_chemical_formula_sum '[Mn2 Co2 H6]'
_cell_volume [62.6132]
_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  2  0.0000  0.5000  0.3550  1.0
  Co  Co1  2  0.0000  0.5000  0.8871  1.0
  H  H2  4  0.0000  0.2744  0.6338  1.0
  H  H3  2  0.0000  0.0000  0.9443  1.0
]