data_[Zn2Si4Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5067]
_cell_length_b [2.7664]
_cell_length_c [4.4359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZnSi2Mo]
_chemical_formula_sum '[Zn2 Si4 Mo2]'
_cell_volume [116.4853]
_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
[
  Zn  Zn0  2  0.0088  0.5000  0.4836  1
  Si  Si1  2  0.2527  0.5000  0.2718  1
  Si  Si2  2  0.4865  0.5000  0.9753  1
  Mo  Mo3  2  0.2520  0.0000  0.7693  1
]