data_[Cu4Sn8Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [7.8581]
_cell_length_b [13.5992]
_cell_length_c [7.8414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [CuSn2Sb3]
_chemical_formula_sum '[Cu4 Sn8 Sb12]'
_cell_volume [787.6093]
_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
[
  Cu  Cu0  4  0.0223  0.0806  0.0168  1
  Sn  Sn1  4  0.0156  0.2451  0.5023  1
  Sn  Sn2  4  0.4991  0.0820  0.5023  1
  Sb  Sb3  4  0.1115  0.0664  0.3611  1
  Sb  Sb4  4  0.1262  0.2358  0.8944  1
  Sb  Sb5  4  0.1727  0.4170  0.3944  1
]