data_[Mg28Mn2Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.1506]
_cell_length_b [6.2612]
_cell_length_c [10.8517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg14MnZn]
_chemical_formula_sum '[Mg28 Mn2 Zn2]'
_cell_volume [689.6789]
_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  0.2604  0.2492  0.0858  1.0
  Mg  Mg1  4  0.0000  0.2497  0.9172  1.0
  Mg  Mg2  4  0.2538  0.0000  0.8315  1.0
  Mg  Mg3  4  0.2540  0.0000  0.3308  1.0
  Mg  Mg4  4  0.5000  0.2480  0.4154  1.0
  Mg  Mg5  2  0.0000  0.0000  0.1659  1.0
  Mg  Mg6  2  0.0000  0.0000  0.6661  1.0
  Mn  Mn7  2  0.5000  0.0000  0.1686  1.0
  Zn  Zn8  2  0.5000  0.0000  0.6662  1.0
]