data_[Pr4Mn4Te4Se6]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9632]
_cell_length_b [4.9632]
_cell_length_c [19.8195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Pr2Mn2Te2Se3]
_chemical_formula_sum '[Pr4 Mn4 Te4 Se6]'
_cell_volume [488.2193]
_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  4  0.0000  0.0000  0.1701  1
  Mn  Mn1  4  0.0000  0.5000  0.0000  1
  Te  Te2  4  0.0000  0.0000  0.4045  1
  Se  Se3  4  0.0000  0.5000  0.2500  1
  Se  Se4  2  0.0000  0.0000  0.0000  1
]