data_[Ta12W3C15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1520]
_cell_length_b [3.1520]
_cell_length_c [38.7364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ta4WC5]
_chemical_formula_sum '[Ta12 W3 C15]'
_cell_volume [333.2969]
_cell_formula_units_Z [3]
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
[
  Ta  Ta0  6  0.0000  0.0000  0.1004  1.0
  Ta  Ta1  6  0.0000  0.0000  0.2995  1.0
  W  W2  3  -0.0000  -0.0000  0.5000  1.0
  C  C3  6  0.0000  0.0000  0.1989  1.0
  C  C4  6  0.0000  0.0000  0.4007  1.0
  C  C5  3  0.0000  0.0000  0.0000  1.0
]