data_[Te4Ru4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4658]
_cell_length_b [6.2503]
_cell_length_c [6.4752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TeRuSe]
_chemical_formula_sum '[Te4 Ru4 Se4]'
_cell_volume [252.6408]
_cell_formula_units_Z [4]
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
[
  Te  Te0  4  0.1458  0.6292  0.3569  1.0
  Ru  Ru1  4  0.2594  0.0072  0.2542  1.0
  Se  Se2  4  0.3608  0.1298  0.6414  1.0
]