data_[Ta8Pt2Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [9.2203]
_cell_length_b [5.6940]
_cell_length_c [4.9089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Ta4PtRh3]
_chemical_formula_sum '[Ta8 Pt2 Rh6]'
_cell_volume [257.7214]
_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  4  0.0000  0.2497  0.5000  1
  Ta  Ta1  4  0.2500  0.2484  0.1367  1
  Rh  Rh2  2  0.0000  0.0000  0.0000  1
  Pt  Pt3  2  0.0000  0.5000  0.0000  1
  Rh  Rh4  2  0.2500  0.0000  0.6398  1
  Rh  Rh5  2  0.2500  0.5000  0.6425  1
]