data_[La1Mg2Mn1H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.7525]
_cell_length_b [4.5062]
_cell_length_c [5.5555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LaMg2MnH8]
_chemical_formula_sum '[La1 Mg2 Mn1 H8]'
_cell_volume [113.5548]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1
  Mg  Mg1  2  0.0807  0.5000  0.7860  1
  Mn  Mn2  1  0.0000  0.0000  0.0000  1
  H  H3  4  0.2638  0.2442  0.1010  1
  H  H4  2  0.0677  0.0000  0.7195  1
  H  H5  2  0.2816  0.5000  0.5377  1
]