data_LuTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   4.57
_cell_length_c   30.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuTe3
_chemical_formula_sum   'Lu2 Te6'
_cell_volume   552.93
_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  1  0.5  0.25  0.45  1.0
  Lu  Lu1  1  0.5  0.75  0.55  1.0
  Te  Te2  1  0.5  0.25  0.35  1.0
  Te  Te3  1  0.0  0.25  0.55  1.0
  Te  Te4  1  0.0  0.75  0.45  1.0
  Te  Te5  1  0.5  0.75  0.65  1.0
  Te  Te6  1  0.0  0.75  0.33  1.0
  Te  Te7  1  0.0  0.25  0.67  1.0

Lu Lu Te Te Te Te Te Te 0 4 o - o 0 4 o o o 0 4 + - o 0 4 + o o 0 3 o o o 0 3 + o o 0 1 o - o 0 1 o o o 0 2 o o o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 4 o o o 1 4 + o o 1 5 o o o 2 6 o - o 2 6 o o o 2 6 + - o 2 6 + o o 3 4 o - o 3 4 o o o 3 7 o o o 4 6 o o o 5 7 o o o 5 7 o + o 5 7 + o o 5 7 + + o 
data_LuTe3
_symmetry_space_group_name_H-M   Pmma
_cell_length_a   4.57
_cell_length_b   3.99
_cell_length_c   30.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   51
_chemical_formula_structural   LuTe3
_chemical_formula_sum   'Lu2 Te6'
_cell_volume   552.93
_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, z'
  4  'x+1/2, y, -z'
  5  'x+1/2, -y, -z'
  6  '-x+1/2, y, z'
  7  '-x, y, -z'
  8  '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  2  0.25  0.5  0.55  1.0
  Te  Te1  2  0.25  0.0  0.33  1.0
  Te  Te2  2  0.25  0.0  0.45  1.0
  Te  Te3  2  0.25  0.5  0.65  1.0
