data_[Ta14B8C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1448]
_cell_length_b [3.2204]
_cell_length_c [32.3145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ta7(BC)4]
_chemical_formula_sum '[Ta14 B8 C8]'
_cell_volume [327.2693]
_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  0.0000  0.0000  0.1470  1
  Ta  Ta1  4  0.0000  0.0000  0.2857  1
  Ta  Ta2  4  0.0000  0.0000  0.4183  1
  Ta  Ta3  2  0.0000  0.5000  0.0000  1
  B  B4  4  0.0000  0.0000  0.0575  1
  B  B5  4  0.0000  0.5000  0.4716  1
  C  C6  4  0.0000  0.0000  0.2153  1
  C  C7  4  0.0000  0.0000  0.3524  1
]