data_[Mg28Ni2Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.1525]
_cell_length_b [6.2783]
_cell_length_c [10.7810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg14NiSn]
_chemical_formula_sum '[Mg28 Ni2 Sn2]'
_cell_volume [687.1832]
_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  0.2640  0.2422  0.9138  1.0
  Mg  Mg1  4  0.0000  0.2477  0.5825  1.0
  Mg  Mg2  4  0.2465  0.0000  0.1665  1.0
  Mg  Mg3  4  0.2619  0.0000  0.6718  1.0
  Mg  Mg4  4  0.5000  0.2489  0.0863  1.0
  Mg  Mg5  2  0.0000  0.0000  0.3354  1.0
  Mg  Mg6  2  0.0000  0.0000  0.8339  1.0
  Ni  Ni7  2  0.5000  0.0000  0.8312  1.0
  Sn  Sn8  2  0.5000  0.0000  0.3300  1.0
]