data_[Pr2Co20Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Co  1.8800  1.3500  0.7683
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6684]
_cell_length_b [8.5072]
_cell_length_c [8.5404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr(Co5Mo)2]
_chemical_formula_sum '[Pr2 Co20 Mo4]'
_cell_volume [339.1809]
_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  2  0.0000  0.0000  0.0000  1.0
  Co  Co1  8  0.2500  0.2500  0.2500  1.0
  Co  Co2  4  0.0000  0.2811  0.5000  1.0
  Co  Co3  4  0.0000  0.3616  0.0000  1.0
  Co  Co4  4  0.0000  0.5000  0.2721  1.0
  Mo  Mo5  4  0.0000  0.0000  0.3601  1.0
]