data_[Zr6V6Co45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  V  1.6300  1.3500  0.7775
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1883]
_cell_length_b [8.1883]
_cell_length_c [12.0628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Zr2V2Co15]
_chemical_formula_sum '[Zr6 V6 Co45]'
_cell_volume [700.4359]
_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  6  0.0000  0.0000  0.3460  1
  V  V1  6  0.0000  0.0000  0.0975  1
  Co  Co2  18  0.0000  0.2981  0.0000  1
  Co  Co3  18  0.0035  0.5017  0.1522  1
  Co  Co4  9  0.0000  0.5000  0.5000  1
]