data_[Ta4Mo4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [10.9029]
_cell_length_b [3.1013]
_cell_length_c [5.3869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaMoC]
_chemical_formula_sum '[Ta4 Mo4 C4]'
_cell_volume [159.9710]
_cell_formula_units_Z [4]
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  0.1190  0.5000  0.7951  1.0
  Mo  Mo1  4  0.1313  0.0000  0.3029  1.0
  C  C2  4  0.2485  0.0000  0.7533  1.0
]