data_[Zr2Tl2Cr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4260]
_cell_length_b [3.1759]
_cell_length_c [5.2275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrTlCr2]
_chemical_formula_sum '[Zr2 Tl2 Cr4]'
_cell_volume [151.9102]
_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  0.0000  0.0000  0.5000  1
  Tl  Tl1  2  0.0000  0.5000  0.0000  1
  Cr  Cr2  4  0.2483  0.5000  0.7445  1
]