data_[Sc4Ta2Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ta  1.5000  1.4500  0.8200
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.2007]
_cell_length_b [4.7803]
_cell_length_c [9.8679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Sc2TaRh]
_chemical_formula_sum '[Sc4 Ta2 Rh2]'
_cell_volume [150.9808]
_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
[
  Sc  Sc0  2  0.0000  0.0000  0.9746  1
  Sc  Sc1  2  0.0000  0.5000  0.7559  1
  Ta  Ta2  2  0.0000  0.0000  0.5265  1
  Rh  Rh3  2  0.0000  0.5000  0.2430  1
]