data_[Pm8Y8H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [7.3851]
_cell_length_b [11.4196]
_cell_length_c [6.3395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [PmYH]
_chemical_formula_sum '[Pm8 Y8 H8]'
_cell_volume [534.6479]
_cell_formula_units_Z [8]
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  4  0.1245  0.7475  0.9019  1
  Pm  Pm1  4  0.1250  0.0016  0.5662  1
  Y  Y2  4  0.1206  0.5029  0.5601  1
  Y  Y3  4  0.1272  0.2542  0.9010  1
  H  H4  4  0.1207  0.6245  0.2419  1
  H  H5  4  0.1228  0.3785  0.2303  1
]