data_[Si4Sb2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2572]
_cell_length_b [3.3750]
_cell_length_c [5.8122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Si2SbMo]
_chemical_formula_sum '[Si4 Sb2 Mo2]'
_cell_volume [161.5632]
_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
[
  Si  Si0  2  0.0513  0.0000  0.8881  1
  Si  Si1  2  0.2832  0.5000  0.7151  1
  Sb  Sb2  2  0.1769  0.0000  0.3116  1
  Mo  Mo3  2  0.4886  0.0000  0.5852  1
]