data_[Sr1Ta1Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ta  1.5000  1.4500  0.8200
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.3055]
_cell_length_b [3.8184]
_cell_length_c [6.9287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [SrTaRh2]
_chemical_formula_sum '[Sr1 Ta1 Rh2]'
_cell_volume [87.4533]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.4680  1
  Ta  Ta1  1  0.5000  0.5000  0.8650  1
  Rh  Rh2  1  0.0000  0.0000  0.9626  1
  Rh  Rh3  1  0.5000  0.5000  0.2044  1
]