data_[Zr2Mn2Tl2Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4290]
_cell_length_b [4.1350]
_cell_length_c [10.2413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrMnTlTe3]
_chemical_formula_sum '[Zr2 Mn2 Tl2 Te6]'
_cell_volume [370.3220]
_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  0.3317  0.7500  0.8538  1.0
  Mn  Mn1  2  0.0830  0.2500  0.6100  1.0
  Tl  Tl2  2  0.2005  0.2500  0.2538  1.0
  Te  Te3  2  0.1161  0.2500  0.8782  1.0
  Te  Te4  2  0.2273  0.7500  0.5420  1.0
  Te  Te5  2  0.4525  0.7500  0.1610  1.0
]