data_[Zr4Al12Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.9876]
_cell_length_b [3.9285]
_cell_length_c [10.3040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ZrAl3Co]
_chemical_formula_sum '[Zr4 Al12 Co4]'
_cell_volume [323.3297]
_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
[
  Zr  Zr0  4  0.1887  0.2500  0.9844  1.0
  Al  Al1  4  0.0566  0.2500  0.4197  1.0
  Al  Al2  4  0.1136  0.7500  0.2009  1.0
  Al  Al3  4  0.1431  0.7500  0.7814  1.0
  Co  Co4  4  0.1024  0.2500  0.6489  1.0
]