data_[Ta12Co12Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.2278]
_cell_length_b [10.5143]
_cell_length_c [6.9386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [TaCoRh]
_chemical_formula_sum '[Ta12 Co12 Rh12]'
_cell_volume [527.3033]
_cell_formula_units_Z [12]
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  0.0353  0.6755  0.2589  1
  Ta  Ta1  4  0.2500  0.0609  0.2523  1
  Co  Co2  8  0.0592  0.6138  0.6005  1
  Co  Co3  4  0.0000  0.0000  0.5119  1
  Rh  Rh4  4  0.2500  0.0332  0.8437  1
  Rh  Rh5  4  0.2500  0.2196  0.5355  1
  Rh  Rh6  4  0.2500  0.6687  0.9497  1
]