data_[Mn4Co2H12]
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 [4.5320]
_cell_length_b [4.3172]
_cell_length_c [7.6545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mn2CoH6]
_chemical_formula_sum '[Mn4 Co2 H12]'
_cell_volume [123.2317]
_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  0.2227  0.0332  0.7337  1.0
  Co  Co1  2  0.5000  0.0000  0.5000  1.0
  H  H2  4  0.1814  0.2154  0.4673  1.0
  H  H3  4  0.2195  0.7201  0.4344  1.0
  H  H4  4  0.3557  0.0372  0.2554  1.0
]