data_[Mn4Cr4H12]
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 [P2_1/c]
_cell_length_a [5.5951]
_cell_length_b [4.3571]
_cell_length_c [5.5566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MnCrH3]
_chemical_formula_sum '[Mn4 Cr4 H12]'
_cell_volume [117.9481]
_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  0.4005  0.7382  0.5744  1.0
  Cr  Cr1  4  0.0789  0.2484  0.4131  1.0
  H  H2  4  0.1972  0.0088  0.2091  1.0
  H  H3  4  0.2204  0.5070  0.2528  1.0
  H  H4  4  0.4235  0.1382  0.5866  1.0
]