data_[Al6Co6Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1729]
_cell_length_b [4.1729]
_cell_length_c [20.3813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [AlCoSn]
_chemical_formula_sum '[Al6 Co6 Sn6]'
_cell_volume [307.3488]
_cell_formula_units_Z [6]
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
[
  Al  Al0  3  0.0000  0.0000  0.3382  1
  Al  Al1  3  0.0000  0.0000  0.5997  1
  Co  Co2  3  0.0000  0.0000  0.7158  1
  Co  Co3  3  0.0000  0.0000  0.9718  1
  Sn  Sn4  3  0.0000  0.0000  0.0973  1
  Sn  Sn5  3  0.0000  0.0000  0.8492  1
]