data_[Pr1Mn1Tl2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8537]
_cell_length_b [7.0421]
_cell_length_c [8.1325]
_cell_angle_alpha [89.5056]
_cell_angle_beta [89.4459]
_cell_angle_gamma [86.9194]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PrMn(TlCl4)2]
_chemical_formula_sum '[Pr1 Mn1 Tl2 Cl8]'
_cell_volume [391.9114]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.4809  0.4866  0.2318  1.0
  Cl  Cl3  2  0.1692  0.7191  0.9962  1.0
  Cl  Cl4  2  0.2010  0.1154  0.7868  1.0
  Cl  Cl5  2  0.2303  0.6674  0.5060  1.0
  Cl  Cl6  2  0.2348  0.1254  0.2466  1.0
]