data_[Sr1Pr2Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [5.9460]
_cell_length_b [5.9706]
_cell_length_c [6.1463]
_cell_angle_alpha [118.2570]
_cell_angle_beta [90.2815]
_cell_angle_gamma [119.4599]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrPr2MoO6]
_chemical_formula_sum '[Sr1 Pr2 Mo1 O6]'
_cell_volume [159.1030]
_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
[
  Sr  Sr0  1  0.8067  0.6104  0.4121  1.0
  Pr  Pr1  1  0.0266  0.0579  0.0794  1.0
  Pr  Pr2  1  0.5375  0.0689  0.5999  1.0
  Mo  Mo3  1  0.3232  0.6404  0.9578  1.0
  O  O4  1  0.1362  0.8078  0.2158  1.0
  O  O5  1  0.2136  0.7891  0.7578  1.0
  O  O6  1  0.4071  0.5511  0.2250  1.0
  O  O7  1  0.5731  0.5411  0.7579  1.0
  O  O8  1  0.6790  0.0911  0.2275  1.0
  O  O9  1  0.9586  0.1654  0.7516  1.0
]