data_[Sb1P1W4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.2538]
_cell_length_b [3.2538]
_cell_length_c [12.2980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [SbP(W2C)2]
_chemical_formula_sum '[Sb1 P1 W4 C2]'
_cell_volume [112.7586]
_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  0.6667  0.3333  0.5000  1
  P  P1  1  0.0000  0.0000  0.0000  1
  W  W2  2  0.0000  0.0000  0.3113  1
  W  W3  2  0.6667  0.3333  0.1352  1
  C  C4  2  0.3333  0.6667  0.2358  1
]