data_[Li4Mn2Cr2H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [4.7572]
_cell_length_b [4.8180]
_cell_length_c [8.3123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2MnCrH6]
_chemical_formula_sum '[Li4 Mn2 Cr2 H12]'
_cell_volume [156.1678]
_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
[
  Li  Li0  4  0.2554  0.5230  0.7501  1.0
  Mn  Mn1  2  0.5000  0.0000  0.0000  1.0
  Cr  Cr2  2  0.0000  0.0000  0.5000  1.0
  H  H3  4  0.1586  0.5352  0.2491  1.0
  H  H4  4  0.2562  0.2090  0.0486  1.0
  H  H5  4  0.3410  0.7095  0.0486  1.0
]