data_[Li2Ta1Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8201]
_cell_length_b [4.2853]
_cell_length_c [5.2420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5246]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li2TaRh]
_chemical_formula_sum '[Li2 Ta1 Rh1]'
_cell_volume [63.3265]
_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
[
  Li  Li0  1  0.0998  0.0000  0.0672  1
  Li  Li1  1  0.6271  0.5000  0.2017  1
  Ta  Ta2  1  0.1417  0.5000  0.6805  1
  Rh  Rh3  1  0.6313  0.0000  0.5506  1
]