data_[Pr1Mg2H8Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.5144]
_cell_length_b [4.5144]
_cell_length_c [6.6216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [PrMg2H8Ru]
_chemical_formula_sum '[Pr1 Mg2 H8 Ru1]'
_cell_volume [116.8658]
_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
[
  Pr  Pr0  1  0.0000  0.0000  0.5000  1.0
  Mg  Mg1  2  0.3333  0.6667  0.1344  1.0
  H  H2  6  0.1675  0.3350  0.8345  1.0
  H  H3  2  0.3333  0.6667  0.4350  1.0
  Ru  Ru4  1  0.0000  0.0000  0.0000  1.0
]