data_[Ta26Cr6]
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 [Amm2]
_cell_length_a [6.4829]
_cell_length_b [9.1006]
_cell_length_c [9.3224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ta13Cr3]
_chemical_formula_sum '[Ta26 Cr6]'
_cell_volume [550.0088]
_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  8  0.2562  0.2424  0.2497  1.0
  Ta  Ta1  4  0.0000  0.2369  0.5013  1.0
  Ta  Ta2  4  0.2554  0.0000  0.0036  1.0
  Ta  Ta3  4  0.5000  0.2344  0.4983  1.0
  Ta  Ta4  2  0.0000  0.0000  0.2594  1.0
  Ta  Ta5  2  0.0000  0.0000  0.7442  1.0
  Ta  Ta6  2  0.5000  0.0000  0.7421  1.0
  Cr  Cr7  4  0.2525  0.0000  0.4987  1.0
  Cr  Cr8  2  0.5000  0.0000  0.2516  1.0
]