data_[Zr8V8Co8]
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 [Amm2]
_cell_length_a [8.3714]
_cell_length_b [5.1271]
_cell_length_c [8.5073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ZrVCo]
_chemical_formula_sum '[Zr8 V8 Co8]'
_cell_volume [365.1402]
_cell_formula_units_Z [8]
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  0.1976  0.0000  0.6634  1.0
  Zr  Zr1  4  0.3189  0.0000  0.3270  1.0
  V  V2  4  0.0000  0.2477  0.4113  1.0
  V  V3  2  0.0000  0.0000  0.1691  1.0
  V  V4  2  0.5000  0.0000  0.8508  1.0
  Co  Co5  4  0.2527  0.0000  0.9952  1.0
  Co  Co6  4  0.5000  0.2449  0.5926  1.0
]