data_[La2Mn4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0509]
_cell_length_b [8.2919]
_cell_length_c [3.8378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La(MnH4)2]
_chemical_formula_sum '[La2 Mn4 H16]'
_cell_volume [160.7317]
_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
[
  La  La0  2  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  4  0.0000  0.3260  0.0000  1.0
  H  H2  8  0.1727  0.1470  0.0000  1.0
  H  H3  4  0.0000  0.3061  0.5000  1.0
  H  H4  4  0.0000  0.5000  0.2337  1.0
]