data_[Mg4Zn2Mo2]
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 [Cmm2]
_cell_length_a [3.5622]
_cell_length_b [4.3642]
_cell_length_c [9.0562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Mg2ZnMo]
_chemical_formula_sum '[Mg4 Zn2 Mo2]'
_cell_volume [140.7908]
_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  2  0.0000  0.0000  0.9798  1
  Mg  Mg1  2  0.0000  0.5000  0.2693  1
  Zn  Zn2  2  0.0000  0.5000  0.7372  1
  Mo  Mo3  2  0.0000  0.0000  0.5136  1
]