data_[Th2Ta2Cr2C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0854]
_cell_length_b [3.3534]
_cell_length_c [7.5208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ThTaCrC3]
_chemical_formula_sum '[Th2 Ta2 Cr2 C6]'
_cell_volume [172.4559]
_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
[
  Th  Th0  2  0.1919  0.7500  0.2038  1
  Ta  Ta1  2  0.3512  0.2500  0.8579  1
  Cr  Cr2  2  0.0983  0.7500  0.6056  1
  C  C3  2  0.1215  0.7500  0.8583  1
  C  C4  2  0.1813  0.2500  0.5294  1
  C  C5  2  0.4428  0.2500  0.1548  1
]