data_[Sr4Tl1Cd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.6578]
_cell_length_b [5.0223]
_cell_length_c [12.4853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sr4TlCd3]
_chemical_formula_sum '[Sr4 Tl1 Cd3]'
_cell_volume [292.0716]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1413  1.0
  Sr  Sr1  1  0.0000  0.5000  0.8570  1.0
  Sr  Sr2  1  0.5000  0.0000  0.6468  1.0
  Sr  Sr3  1  0.5000  0.5000  0.3525  1.0
  Tl  Tl4  1  0.5000  0.5000  0.0746  1.0
  Cd  Cd5  1  0.0000  0.0000  0.4299  1.0
  Cd  Cd6  1  0.0000  0.5000  0.5707  1.0
  Cd  Cd7  1  0.5000  0.0000  0.9273  1.0
]