data_[Lu1Te4Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4601]
_cell_length_b [7.6718]
_cell_length_c [7.7208]
_cell_angle_alpha [78.2326]
_cell_angle_beta [75.0943]
_cell_angle_gamma [66.4656]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Lu(Te2Cl3)2]
_chemical_formula_sum '[Lu1 Te4 Cl6]'
_cell_volume [388.9255]
_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
[
  Lu  Lu0  1  0.0000  0.0000  0.0000  1.0
  Te  Te1  2  0.3396  0.5103  0.7424  1.0
  Te  Te2  2  0.3886  0.3275  0.4537  1.0
  Cl  Cl3  2  0.0196  0.1626  0.2581  1.0
  Cl  Cl4  2  0.0512  0.2799  0.7692  1.0
  Cl  Cl5  2  0.3810  0.8027  0.9525  1.0
]