data_[Pr1Gd1H2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Gd  1.2000  1.8000  1.0750
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.3718]
_cell_length_b [3.7260]
_cell_length_c [6.1431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [PrGd(HO2)2]
_chemical_formula_sum '[Pr1 Gd1 H2 O4]'
_cell_volume [94.7249]
_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  0.1686  0.5000  0.8140  1
  Gd  Gd1  1  0.8380  0.0000  0.1984  1
  H  H2  1  0.4786  0.0000  0.5576  1
  H  H3  1  0.5033  0.5000  0.3997  1
  O  O4  1  0.2558  0.0000  0.5587  1
  O  O5  1  0.2740  0.0000  0.0652  1
  O  O6  1  0.7371  0.5000  0.4365  1
  O  O7  1  0.7444  0.5000  0.9698  1
]