data_[Lu14Te4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Te  2.1000  1.4000  1.2933
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8958]
_cell_length_b [15.4939]
_cell_length_c [9.1781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Lu7(TeRu)2]
_chemical_formula_sum '[Lu14 Te4 Ru4]'
_cell_volume [554.0075]
_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
[
  Lu  Lu0  4  0.0000  0.1351  0.4167  1.0
  Lu  Lu1  4  0.0000  0.3154  0.6265  1.0
  Lu  Lu2  4  0.0000  0.3499  0.2610  1.0
  Lu  Lu3  2  0.0000  0.0000  0.9966  1.0
  Te  Te4  2  0.0000  0.0000  0.6603  1.0
  Te  Te5  2  0.0000  0.5000  0.7646  1.0
  Ru  Ru6  4  0.0000  0.2370  0.9305  1.0
]