data_[Hf14Co4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.3376]
_cell_length_b [14.9656]
_cell_length_c [9.0663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Hf7(CoSn)2]
_chemical_formula_sum '[Hf14 Co4 Sn4]'
_cell_volume [452.8608]
_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
[
  Hf  Hf0  4  0.0000  0.1450  0.0980  1.0
  Hf  Hf1  4  0.0000  0.3227  0.8954  1.0
  Hf  Hf2  4  0.0000  0.3420  0.2653  1.0
  Hf  Hf3  2  0.0000  0.0000  0.5414  1.0
  Co  Co4  4  0.0000  0.2296  0.5864  1.0
  Sn  Sn5  2  0.0000  0.0000  0.8717  1.0
  Sn  Sn6  2  0.0000  0.5000  0.7507  1.0
]