data_[Sb1Mo1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Mo  2.1600  1.4500  0.7750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.5751]
_cell_length_b [3.1872]
_cell_length_c [7.5981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SbMoCl2]
_chemical_formula_sum '[Sb1 Mo1 Cl2]'
_cell_volume [106.8645]
_cell_formula_units_Z [1]
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
[
  Sb  Sb0  1  0.7629  0.5000  0.3607  1
  Mo  Mo1  1  0.3018  0.0000  0.3987  1
  Cl  Cl2  1  0.0710  0.0000  0.0779  1
  Cl  Cl3  1  0.3643  0.5000  0.6626  1
]