data_[Sr2Zr2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.1005]
_cell_length_b [3.4523]
_cell_length_c [5.6515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrZrTl2]
_chemical_formula_sum '[Sr2 Zr2 Tl4]'
_cell_volume [225.1284]
_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
[
  Sr  Sr0  2  0.2604  0.0000  0.8228  1
  Zr  Zr1  2  0.4903  0.0000  0.4184  1
  Tl  Tl2  2  0.0104  0.0000  0.9349  1
  Tl  Tl3  2  0.2389  0.5000  0.3240  1
]