data_[Ta4Si4Mo4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6368]
_cell_length_b [3.3395]
_cell_length_c [6.2928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2Si2Mo2C]
_chemical_formula_sum '[Ta4 Si4 Mo4 C2]'
_cell_volume [209.3849]
_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  4  0.0175  0.5000  0.2535  1
  Si  Si1  4  0.1284  0.0000  0.6270  1
  Mo  Mo2  4  0.2021  0.0000  0.1143  1
  C  C3  2  0.0000  0.0000  0.0000  1
]