data_[Mg28Co2Ni2]
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 [9.7635]
_cell_length_b [6.3450]
_cell_length_c [10.6494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg14CoNi]
_chemical_formula_sum '[Mg28 Co2 Ni2]'
_cell_volume [659.7280]
_cell_formula_units_Z [2]
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  8  0.2037  0.2499  0.9054  1
  Mg  Mg1  4  0.0000  0.2494  0.1179  1
  Mg  Mg2  4  0.2468  0.0000  0.1663  1
  Mg  Mg3  4  0.2477  0.0000  0.6645  1
  Mg  Mg4  4  0.5000  0.2493  0.0814  1
  Mg  Mg5  2  0.5000  0.0000  0.3378  1
  Mg  Mg6  2  0.5000  0.0000  0.8372  1
  Co  Co7  2  0.0000  0.0000  0.3230  1
  Ni  Ni8  2  0.0000  0.0000  0.8204  1
]