data_[Cs2Pr4Mo4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9388]
_cell_length_b [6.9147]
_cell_length_c [7.2302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsPr2(MoN3)2]
_chemical_formula_sum '[Cs2 Pr4 Mo4 N12]'
_cell_volume [504.2470]
_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
[
  Cs  Cs0  2  0.0000  0.5000  0.5000  1
  Pr  Pr1  4  0.1771  0.0000  0.7906  1
  Mo  Mo2  4  0.1213  0.0000  0.1914  1
  N  N3  8  0.1935  0.2123  0.1424  1
  N  N4  4  0.0760  0.0000  0.3995  1
]