data_[Nd1Mg2Cr1H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.5276]
_cell_length_b [4.7427]
_cell_length_c [6.7808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [NdMg2CrH8]
_chemical_formula_sum '[Nd1 Mg2 Cr1 H8]'
_cell_volume [113.4437]
_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
[
  Nd  Nd0  1  0.0000  0.0000  0.5000  1
  Mg  Mg1  2  0.5000  0.5000  0.2329  1
  Cr  Cr2  1  0.0000  0.0000  0.0000  1
  H  H3  4  0.0000  0.2532  0.2121  1
  H  H4  2  0.5000  0.2116  0.0000  1
  H  H5  2  0.5000  0.2822  0.5000  1
]