data_[Ta4W2C2]
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 [Cm]
_cell_length_a [8.9341]
_cell_length_b [2.9011]
_cell_length_c [5.0414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ta2WC]
_chemical_formula_sum '[Ta4 W2 C2]'
_cell_volume [117.9198]
_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
[
  Ta  Ta0  2  0.2634  0.5000  0.2178  1
  Ta  Ta1  2  0.4422  0.5000  0.8908  1
  W  W2  2  0.0826  0.5000  0.5303  1
  C  C3  2  0.2119  0.0000  0.8612  1
]