data_LiTe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   139.76
_cell_angle_beta   139.76
_cell_angle_gamma   58.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTe2Ru
_chemical_formula_sum   'Li1 Te2 Ru1'
_cell_volume   80.15
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.06  1.0
  Te  Te3  1  0.0  0.99  0.53  1.0
  Ru  Ru1  1  0.99  0.0  0.53  1.0

data_LiTe2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   119.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiTe2Ru
_chemical_formula_sum   'Li2 Te4 Ru2'
_cell_volume   160.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.0  0.0  0.94  1.0
  Te  Te2  2  0.5  0.5  0.46  1.0
  Ru  Ru3  2  0.5  0.5  0.46  1.0

Li Te Te Ru