data_[Li4Mn2Cu2H12]
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
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.6888]
_cell_length_b [4.5052]
_cell_length_c [4.4576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2MnCuH6]
_chemical_formula_sum '[Li4 Mn2 Cu2 H12]'
_cell_volume [150.3299]
_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  2  0.2330  0.5000  0.2341  1.0
  Li  Li1  2  0.2423  0.0000  0.7782  1.0
  Mn  Mn2  2  0.4825  0.5000  0.0231  1.0
  Cu  Cu3  2  0.0221  0.5000  0.5018  1.0
  H  H4  4  0.0324  0.2424  0.8005  1.0
  H  H5  4  0.3995  0.2515  0.1751  1.0
  H  H6  2  0.1969  0.0000  0.2954  1.0
  H  H7  2  0.2620  0.5000  0.6942  1.0
]