data_[Ta1Ga4Rh5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9756]
_cell_length_b [2.9756]
_cell_length_c [16.2349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TaGa4Rh5]
_chemical_formula_sum '[Ta1 Ga4 Rh5]'
_cell_volume [143.7434]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  2  0.0000  0.0000  0.2111  1.0
  Ga  Ga2  2  0.0000  0.0000  0.4040  1.0
  Rh  Rh3  2  0.5000  0.5000  0.1174  1.0
  Rh  Rh4  2  0.5000  0.5000  0.3102  1.0
  Rh  Rh5  1  0.5000  0.5000  0.5000  1.0
]