data_[Zr9V24Re3]
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
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0841]
_cell_length_b [5.0841]
_cell_length_c [25.5626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Zr3V8Re]
_chemical_formula_sum '[Zr9 V24 Re3]'
_cell_volume [572.2178]
_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  0.0022  1.0
  Zr  Zr1  3  0.0000  0.0000  0.4981  1.0
  Zr  Zr2  3  0.0000  0.0000  0.6250  1.0
  V  V3  9  0.0027  0.5013  0.0657  1.0
  V  V4  9  0.1681  0.3362  0.8924  1.0
  V  V5  3  0.0000  0.0000  0.3148  1.0
  V  V6  3  0.0000  0.0000  0.8113  1.0
  Re  Re7  3  0.0000  0.0000  0.1246  1.0
]