data_[Ce1Mg2Mn1H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [4.7156]
_cell_length_b [4.5102]
_cell_length_c [5.6068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CeMg2MnH8]
_chemical_formula_sum '[Ce1 Mg2 Mn1 H8]'
_cell_volume [113.1172]
_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
[
  Ce  Ce0  1  0.5000  0.0000  0.5000  1.0
  Mg  Mg1  2  0.0864  0.5000  0.7869  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  H  H3  4  0.2677  0.2438  0.1048  1.0
  H  H4  2  0.0697  0.0000  0.7226  1.0
  H  H5  2  0.2865  0.5000  0.5383  1.0
]