data_[Mg12Zn2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3807]
_cell_length_b [7.5637]
_cell_length_c [9.4595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg6ZnMo]
_chemical_formula_sum '[Mg12 Zn2 Mo2]'
_cell_volume [313.4310]
_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  4  0.0000  0.2331  0.8847  1
  Mg  Mg1  4  0.5000  0.2099  0.1135  1
  Mg  Mg2  2  0.0000  0.0000  0.6011  1
  Mg  Mg3  2  0.5000  0.0000  0.8242  1
  Zn  Zn4  2  0.0000  0.0000  0.1943  1
  Mo  Mo5  2  0.5000  0.0000  0.3839  1
]