data_[Pm2Mg4Mo2H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Mg  1.3100  1.5000  0.8600
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.7987]
_cell_length_b [4.7987]
_cell_length_c [9.4687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [PmMg2MoH8]
_chemical_formula_sum '[Pm2 Mg4 Mo2 H16]'
_cell_volume [218.0411]
_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
[
  Pm  Pm0  2  0.0000  0.0000  0.5000  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  2  0.0000  0.5000  0.2500  1
  Mo  Mo3  2  0.0000  0.5000  0.7500  1
  H  H4  16  0.2231  0.2534  0.8586  1
]