data_[Ca2Pr2Mo4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [Pc]
_cell_length_a [5.5993]
_cell_length_b [5.8973]
_cell_length_c [9.7422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [CaPr(MoO3)2]
_chemical_formula_sum '[Ca2 Pr2 Mo4 O12]'
_cell_volume [264.6889]
_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
[
  Ca  Ca0  2  0.2332  0.1944  0.7506  1.0
  Pr  Pr1  2  0.7684  0.3082  0.2494  1.0
  Mo  Mo2  2  0.5011  0.2482  0.5006  1.0
  Mo  Mo3  2  0.9994  0.2464  0.9994  1.0
  O  O4  2  0.1319  0.0487  0.4375  1.0
  O  O5  2  0.2416  0.4458  0.9473  1.0
  O  O6  2  0.3525  0.2020  0.2429  1.0
  O  O7  2  0.6474  0.2943  0.7573  1.0
  O  O8  2  0.7561  0.0536  0.0521  1.0
  O  O9  2  0.8673  0.4542  0.5624  1.0
]