data_[Ta4Ru2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7252]
_cell_length_b [2.8999]
_cell_length_c [8.1475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2RuCl]
_chemical_formula_sum '[Ta4 Ru2 Cl2]'
_cell_volume [162.8550]
_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
[
  Ta  Ta0  4  0.1758  0.5000  0.8096  1
  Ru  Ru1  2  0.0000  0.5000  0.0000  1
  Cl  Cl2  2  0.0000  0.0000  0.5000  1
]