data_[Y1Ta2Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ta  1.5000  1.4500  0.8200
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.0270]
_cell_length_b [4.9042]
_cell_length_c [5.3179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [YTa2Rh]
_chemical_formula_sum '[Y1 Ta2 Rh1]'
_cell_volume [77.1018]
_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
[
  Y  Y0  1  0.5000  0.5000  0.0000  1
  Ta  Ta1  2  0.2049  0.0000  0.2639  1
  Rh  Rh2  1  0.0000  0.5000  0.5000  1
]