data_[Sr2Mg4Tl14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.7029]
_cell_length_b [15.4733]
_cell_length_c [5.2261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [SrMg2Tl7]
_chemical_formula_sum '[Sr2 Mg4 Tl14]'
_cell_volume [703.7596]
_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  0.0000  0.0000  0.0000  1
  Mg  Mg1  4  0.0000  0.3070  0.5000  1
  Tl  Tl2  8  0.1855  0.1253  0.5000  1
  Tl  Tl3  4  0.0000  0.2310  0.0000  1
  Tl  Tl4  2  0.0000  0.5000  0.5000  1
]