data_[K4Pr4Mn4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [C2/m]
_cell_length_a [17.3434]
_cell_length_b [4.3853]
_cell_length_c [8.5571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KPrMnSe3]
_chemical_formula_sum '[K4 Pr4 Mn4 Se12]'
_cell_volume [631.1753]
_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
[
  K  K0  4  0.1386  0.0000  0.0701  1
  Pr  Pr1  4  0.1701  0.0000  0.5951  1
  Mn  Mn2  4  0.0018  0.5000  0.7088  1
  Se  Se3  4  0.1512  0.5000  0.8061  1
  Se  Se4  4  0.1530  0.5000  0.3514  1
  Se  Se5  2  0.0000  0.0000  0.5000  1
  Se  Se6  2  0.0000  0.5000  0.0000  1
]