data_[Mn10Cr2H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.5668]
_cell_length_b [7.8936]
_cell_length_c [4.6008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn5CrH6]
_chemical_formula_sum '[Mn10 Cr2 H12]'
_cell_volume [156.5223]
_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  0.0000  0.1669  0.5000  1
  Mn  Mn1  4  0.0000  0.3334  0.0000  1
  Mn  Mn2  2  0.0000  0.5000  0.5000  1
  Cr  Cr3  2  0.0000  0.0000  0.0000  1
  H  H4  8  0.2484  0.3347  0.7446  1
  H  H5  4  0.2487  0.0000  0.7445  1
]