data_[Zr9Co6W6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5154]
_cell_length_b [4.5154]
_cell_length_c [21.8288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Zr3(CoW)2]
_chemical_formula_sum '[Zr9 Co6 W6]'
_cell_volume [385.4440]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1281  1
  Zr  Zr1  3  0.0000  0.0000  0.3769  1
  Zr  Zr2  3  0.0000  0.0000  0.6236  1
  Co  Co3  3  0.0000  0.0000  0.2434  1
  Co  Co4  3  0.0000  0.0000  0.7532  1
  W  W5  3  0.0000  0.0000  0.5044  1
  W  W6  3  0.0000  0.0000  0.9954  1
]