data_[Ta2Cr6Rh12]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4490]
_cell_length_b [3.8639]
_cell_length_c [8.6517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ta(CrRh2)3]
_chemical_formula_sum '[Ta2 Cr6 Rh12]'
_cell_volume [282.3025]
_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  2  0.0650  0.2500  0.3824  1
  Cr  Cr1  2  0.2539  0.2500  0.9988  1
  Cr  Cr2  2  0.3449  0.7500  0.8072  1
  Cr  Cr3  2  0.4442  0.2500  0.6061  1
  Rh  Rh4  2  0.0577  0.7500  0.9038  1
  Rh  Rh5  2  0.1503  0.2500  0.7006  1
  Rh  Rh6  2  0.1565  0.7500  0.2009  1
  Rh  Rh7  2  0.2598  0.7500  0.5053  1
  Rh  Rh8  2  0.3726  0.2500  0.3068  1
  Rh  Rh9  2  0.4589  0.7500  0.1007  1
]