data_[Mg4Mo8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.6145]
_cell_length_b [3.1402]
_cell_length_c [11.0280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Mg(MoO2)2]
_chemical_formula_sum '[Mg4 Mo8 O16]'
_cell_volume [332.9570]
_cell_formula_units_Z [4]
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  0.2481  0.7500  0.6577  1
  Mo  Mo1  4  0.0497  0.7500  0.8780  1
  Mo  Mo2  4  0.1018  0.7500  0.4014  1
  O  O3  4  0.0753  0.2500  0.2782  1
  O  O4  4  0.1001  0.7500  0.0714  1
  O  O5  4  0.1189  0.2500  0.5457  1
  O  O6  4  0.1901  0.2500  0.8145  1
]