data_[Pr2Mo4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5254]
_cell_length_b [5.6842]
_cell_length_c [7.9327]
_cell_angle_alpha [90.4765]
_cell_angle_beta [90.4229]
_cell_angle_gamma [90.0829]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Pr(MoO3)2]
_chemical_formula_sum '[Pr2 Mo4 O12]'
_cell_volume [249.1299]
_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
[
  Pr  Pr0  1  0.4868  0.4424  0.2488  1
  Pr  Pr1  1  0.9907  0.0531  0.7502  1
  Mo  Mo2  1  0.4967  0.9923  0.5014  1
  Mo  Mo3  1  0.5004  0.9908  0.0025  1
  Mo  Mo4  1  0.9968  0.5089  0.4984  1
  Mo  Mo5  1  0.9975  0.5101  0.9966  1
  O  O6  1  0.0602  0.4800  0.7501  1
  O  O7  1  0.2185  0.2192  0.0310  1
  O  O8  1  0.2206  0.2237  0.4662  1
  O  O9  1  0.2817  0.6934  0.0445  1
  O  O10  1  0.3085  0.7165  0.4559  1
  O  O11  1  0.4132  0.9843  0.7491  1
  O  O12  1  0.5620  0.0198  0.2497  1
  O  O13  1  0.7106  0.2651  0.5333  1
  O  O14  1  0.7292  0.2907  0.9712  1
  O  O15  1  0.7966  0.7964  0.9543  1
  O  O16  1  0.7982  0.7968  0.5460  1
  O  O17  1  0.9109  0.5165  0.2507  1
]