data_[Ta8Rh2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Rh  2.2800  1.3500  0.7450
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4119]
_cell_length_b [5.6249]
_cell_length_c [5.4287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ta4RhC]
_chemical_formula_sum '[Ta8 Rh2 C2]'
_cell_volume [195.1952]
_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
[
  Ta  Ta0  4  0.1953  0.6114  0.0916  1
  Ta  Ta1  4  0.3919  0.1419  0.1476  1
  Rh  Rh2  2  0.0000  0.0000  0.0000  1
  C  C3  2  0.5000  0.0000  0.5000  1
]