data_[Zr1Nb3Co8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.8175]
_cell_length_b [4.8175]
_cell_length_c [7.8140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [ZrNb3Co8]
_chemical_formula_sum '[Zr1 Nb3 Co8]'
_cell_volume [157.0569]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5647  1
  Nb  Nb1  1  0.0000  0.0000  0.9462  1
  Nb  Nb2  1  0.6667  0.3333  0.0611  1
  Nb  Nb3  1  0.6667  0.3333  0.4253  1
  Co  Co4  3  0.1656  0.3313  0.2486  1
  Co  Co5  3  0.5028  0.0056  0.7521  1
  Co  Co6  1  0.3333  0.6667  0.5018  1
  Co  Co7  1  0.3333  0.6667  0.9989  1
]