data_[Sr4Tl4Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2229]
_cell_length_b [4.2896]
_cell_length_c [5.8636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrTlCu]
_chemical_formula_sum '[Sr4 Tl4 Cu4]'
_cell_volume [327.5675]
_cell_formula_units_Z [4]
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  4  0.1195  0.0000  0.3197  1.0
  Tl  Tl1  4  0.0915  0.5000  0.8004  1.0
  Cu  Cu2  4  0.2228  0.0000  0.8827  1.0
]