data_[Sn1Mo1P2Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6807]
_cell_length_b [4.6807]
_cell_length_c [5.1072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [SnMoP2Cl]
_chemical_formula_sum '[Sn1 Mo1 P2 Cl1]'
_cell_volume [111.8950]
_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
[
  Sn  Sn0  1  0.5000  0.5000  0.5000  1
  Mo  Mo1  1  0.0000  0.0000  0.0000  1
  P  P2  2  0.0000  0.5000  0.0000  1
  Cl  Cl3  1  0.0000  0.0000  0.5000  1
]