data_[Zr2Mn2Tl2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [8.2061]
_cell_length_b [3.9007]
_cell_length_c [10.5017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9831]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrMnTlSe3]
_chemical_formula_sum '[Zr2 Mn2 Tl2 Se6]'
_cell_volume [309.4716]
_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
[
  Zr  Zr0  2  0.4711  0.2500  0.6531  1
  Mn  Mn1  2  0.4631  0.7500  0.8882  1
  Tl  Tl2  2  0.0316  0.2500  0.8014  1
  Se  Se3  2  0.2355  0.7500  0.6516  1
  Se  Se4  2  0.3052  0.2500  0.3707  1
  Se  Se5  2  0.3274  0.7500  0.0690  1
]