data_[Co4Ni7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.7337]
_cell_length_b [7.7337]
_cell_length_c [2.4429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Co4Ni7]
_chemical_formula_sum '[Co4 Ni7]'
_cell_volume [126.5360]
_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
[
  Co  Co0  3  0.3189  0.1595  0.5000  1
  Co  Co1  1  0.3333  0.6667  0.0000  1
  Ni  Ni2  3  0.0191  0.5095  0.5000  1
  Ni  Ni3  3  0.1533  0.3067  0.0000  1
  Ni  Ni4  1  0.6667  0.3333  0.0000  1
]