data_[Sm6Ta2C8]
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 [Pmmn]
_cell_length_a [4.8856]
_cell_length_b [10.0206]
_cell_length_c [5.2741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Sm3TaC4]
_chemical_formula_sum '[Sm6 Ta2 C8]'
_cell_volume [258.1990]
_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
[
  Sm  Sm0  4  0.0000  0.2498  0.2475  1
  Sm  Sm1  2  0.0000  0.5000  0.7395  1
  Ta  Ta2  2  0.0000  0.0000  0.7906  1
  C  C3  4  0.0000  0.2179  0.7355  1
  C  C4  2  0.0000  0.0000  0.1742  1
  C  C5  2  0.0000  0.5000  0.2326  1
]