data_[Y4Ta8Fe4C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ta  1.5000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2114]
_cell_length_b [10.9910]
_cell_length_c [10.8484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [YTa2FeC4]
_chemical_formula_sum '[Y4 Ta8 Fe4 C16]'
_cell_volume [382.9160]
_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
[
  Y  Y0  4  0.0000  0.1018  0.7500  1.0
  Ta  Ta1  8  0.0000  0.3694  0.5434  1.0
  Fe  Fe2  4  0.0000  0.1641  0.2500  1.0
  C  C3  8  0.0000  0.2654  0.1173  1.0
  C  C4  4  0.0000  0.0000  0.0000  1.0
  C  C5  4  0.0000  0.4232  0.7500  1.0
]