data_[Pr2Mn2Tl2Se6]
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
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2187]
_cell_length_b [4.3335]
_cell_length_c [9.8095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrMnTlSe3]
_chemical_formula_sum '[Pr2 Mn2 Tl2 Se6]'
_cell_volume [380.2072]
_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  0.3343  0.7500  0.8517  1.0
  Mn  Mn1  2  0.0836  0.2500  0.6062  1.0
  Tl  Tl2  2  0.1955  0.2500  0.2130  1.0
  Se  Se3  2  0.1108  0.2500  0.8644  1.0
  Se  Se4  2  0.1966  0.7500  0.5286  1.0
  Se  Se5  2  0.4470  0.7500  0.1615  1.0
]