data_[Mn1Tl1Pd1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9976]
_cell_length_b [7.0773]
_cell_length_c [7.3074]
_cell_angle_alpha [89.0232]
_cell_angle_beta [69.0940]
_cell_angle_gamma [76.1872]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnTlPdCl6]
_chemical_formula_sum '[Mn1 Tl1 Pd1 Cl6]'
_cell_volume [280.5823]
_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
[
  Mn  Mn0  1  0.7102  0.6028  0.5625  1.0
  Tl  Tl1  1  0.9665  0.0192  0.0069  1.0
  Pd  Pd2  1  0.3400  0.3611  0.4419  1.0
  Cl  Cl3  1  0.3274  0.5328  0.7185  1.0
  Cl  Cl4  1  0.3932  0.1795  0.1640  1.0
  Cl  Cl5  1  0.6387  0.7764  0.8357  1.0
  Cl  Cl6  1  0.6940  0.4686  0.2775  1.0
  Cl  Cl7  1  0.9622  0.7733  0.3758  1.0
  Cl  Cl8  1  0.9677  0.2865  0.6173  1.0
]