data_[Sc2Ta10C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ta  1.5000  1.4500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6527]
_cell_length_b [3.1475]
_cell_length_c [6.3789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ScTa5C4]
_chemical_formula_sum '[Sc2 Ta10 C8]'
_cell_volume [265.0943]
_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
[
  Sc  Sc0  2  0.0000  0.5000  0.0000  1
  Ta  Ta1  4  0.1622  0.0000  0.8453  1
  Ta  Ta2  4  0.1683  0.0000  0.3246  1
  Ta  Ta3  2  0.0000  0.5000  0.5000  1
  C  C4  4  0.0053  0.0000  0.2618  1
  C  C5  4  0.1700  0.5000  0.0886  1
]