data_[Ta2In1Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.9918]
_cell_length_b [4.1270]
_cell_length_c [5.7303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1590]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ta2InRu]
_chemical_formula_sum '[Ta2 In1 Ru1]'
_cell_volume [70.5666]
_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
[
  Ta  Ta0  2  0.0393  0.0000  0.2713  1
  In  In1  1  0.5000  0.5000  0.0000  1
  Ru  Ru2  1  0.5000  0.5000  0.5000  1
]