data_[Sm8Ta4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ta  1.5000  1.4500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8081]
_cell_length_b [5.3170]
_cell_length_c [10.3926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sm2TaC2]
_chemical_formula_sum '[Sm8 Ta4 C8]'
_cell_volume [376.1955]
_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
[
  Sm  Sm0  4  0.0550  0.2500  0.7251  1
  Sm  Sm1  4  0.1749  0.2500  0.0593  1
  Ta  Ta2  4  0.2016  0.2500  0.3721  1
  C  C3  4  0.0684  0.7500  0.7437  1
  C  C4  4  0.1791  0.7500  0.0517  1
]