data_[Mg8Co8Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.7522]
_cell_length_b [4.7939]
_cell_length_c [8.4927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MgCoNi]
_chemical_formula_sum '[Mg8 Co8 Ni8]'
_cell_volume [315.6199]
_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
[
  Mg  Mg0  4  0.1876  0.0000  0.6666  1.0
  Mg  Mg1  4  0.3148  0.0000  0.3333  1.0
  Co  Co2  4  0.0000  0.2405  0.4187  1.0
  Co  Co3  4  0.2451  0.0000  0.9948  1.0
  Ni  Ni4  4  0.5000  0.2458  0.5850  1.0
  Ni  Ni5  2  0.0000  0.0000  0.1730  1.0
  Ni  Ni6  2  0.5000  0.0000  0.8311  1.0
]