data_[Pr12Mn4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.5787]
_cell_length_b [14.1095]
_cell_length_c [7.0666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr3MnSe6]
_chemical_formula_sum '[Pr12 Mn4 Se24]'
_cell_volume [1154.4652]
_cell_formula_units_Z [4]
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  8  0.1820  0.0992  0.0165  1.0
  Pr  Pr1  4  0.0000  0.3981  0.1105  1.0
  Mn  Mn2  4  0.0000  0.1983  0.4763  1.0
  Se  Se3  8  0.1615  0.4703  0.8126  1.0
  Se  Se4  8  0.1666  0.2607  0.3103  1.0
  Se  Se5  4  0.0000  0.0401  0.3262  1.0
  Se  Se6  4  0.0000  0.2207  0.8228  1.0
]