data_[Ba2Ta4Cr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7871]
_cell_length_b [10.5671]
_cell_length_c [2.9766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTa2Cr]
_chemical_formula_sum '[Ba2 Ta4 Cr2]'
_cell_volume [173.4739]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.5000  1
  Ta  Ta1  4  0.2500  0.2500  0.0000  1
  Cr  Cr2  2  0.0000  0.5000  0.5000  1
]