data_[Mg14Ni1Sn1]
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 [P-6m2]
_cell_length_a [6.2358]
_cell_length_b [6.2358]
_cell_length_c [10.2954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Mg14NiSn]
_chemical_formula_sum '[Mg14 Ni1 Sn1]'
_cell_volume [346.7091]
_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
[
  Mg  Mg0  6  0.1617  0.3234  0.2335  1.0
  Mg  Mg1  3  0.0004  0.5002  0.5000  1.0
  Mg  Mg2  3  0.5027  0.0054  0.0000  1.0
  Mg  Mg3  2  0.6667  0.3333  0.7511  1.0
  Ni  Ni4  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn5  1  0.0000  0.0000  0.5000  1.0
]