data_[Ta6Mn6Cr9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1853]
_cell_length_b [4.1853]
_cell_length_c [19.3100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ta2Mn2Cr3]
_chemical_formula_sum '[Ta6 Mn6 Cr9]'
_cell_volume [292.9328]
_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  3  0.0000  0.0000  0.2396  1
  Ta  Ta1  3  0.0000  0.0000  0.7589  1
  Mn  Mn2  3  0.0000  0.0000  0.4910  1
  Mn  Mn3  3  0.0000  0.0000  0.9998  1
  Cr  Cr4  3  0.0000  0.0000  0.3746  1
  Cr  Cr5  3  0.0000  0.0000  0.6277  1
  Cr  Cr6  3  0.0000  0.0000  0.8834  1
]