data_[Mg28Nb2Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Nb  1.6000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.1146]
_cell_length_b [6.2215]
_cell_length_c [10.9180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg14NbZn]
_chemical_formula_sum '[Mg28 Nb2 Zn2]'
_cell_volume [687.0447]
_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  0.2617  0.2467  0.5858  1
  Mg  Mg1  4  0.0000  0.2498  0.4176  1
  Mg  Mg2  4  0.2547  0.0000  0.8281  1
  Mg  Mg3  4  0.2569  0.0000  0.3298  1
  Mg  Mg4  4  0.5000  0.2470  0.9182  1
  Mg  Mg5  2  0.0000  0.0000  0.1665  1
  Mg  Mg6  2  0.0000  0.0000  0.6661  1
  Nb  Nb7  2  0.5000  0.0000  0.6704  1
  Zn  Zn8  2  0.5000  0.0000  0.1662  1
]