data_[Zr16Ta16Co16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ta  1.5000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.1464]
_cell_length_b [8.9397]
_cell_length_c [17.5509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [ZrTaCo]
_chemical_formula_sum '[Zr16 Ta16 Co16]'
_cell_volume [807.4781]
_cell_formula_units_Z [16]
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  16  0.0000  0.0000  0.4180  1
  Ta  Ta1  16  0.0000  0.1692  0.0000  1
  Co  Co2  16  0.0000  0.0000  0.1231  1
]