data_[Dy12Tl6Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [9.0915]
_cell_length_b [11.6198]
_cell_length_c [5.2447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Dy6Tl3Cu]
_chemical_formula_sum '[Dy12 Tl6 Cu2]'
_cell_volume [554.0574]
_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
[
  Dy  Dy0  4  0.0064  0.7641  0.0000  1.0
  Dy  Dy1  4  0.1598  0.9168  0.5000  1.0
  Dy  Dy2  4  0.1762  0.5861  0.5000  1.0
  Tl  Tl3  4  0.1608  0.2517  0.5000  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
  Cu  Cu5  2  0.0000  0.0000  0.0000  1.0
]