data_[Ta9Cr30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7876]
_cell_length_b [4.7876]
_cell_length_c [26.5174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ta3Cr10]
_chemical_formula_sum '[Ta9 Cr30]'
_cell_volume [526.3688]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.4526  1
  Ta  Ta1  3  0.0000  0.0000  0.0000  1
  Cr  Cr2  18  0.0102  0.5051  0.4115  1
  Cr  Cr3  6  0.0000  0.0000  0.1687  1
  Cr  Cr4  6  0.0000  0.0000  0.3516  1
]