data_[Zr24Tl8Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3635]
_cell_length_b [6.4749]
_cell_length_c [13.4601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr3TlGa]
_chemical_formula_sum '[Zr24 Tl8 Ga8]'
_cell_volume [896.1051]
_cell_formula_units_Z [8]
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
[
  Zr  Zr0  8  0.0518  0.1304  0.6200  1
  Zr  Zr1  8  0.1868  0.1192  0.2980  1
  Zr  Zr2  8  0.2001  0.3737  0.9025  1
  Tl  Tl3  8  0.0491  0.3401  0.0889  1
  Ga  Ga4  4  0.0000  0.4523  0.7500  1
  Ga  Ga5  4  0.2500  0.2500  0.5000  1
]