data_LaNb2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   142.18
_cell_angle_beta   129.57
_cell_angle_gamma   64.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2Te
_chemical_formula_sum   'La1 Nb2 Te1'
_cell_volume   91.55
_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
  La  La0  1  0.0  0.0  0.91  1.0
  Nb  Nb1  1  0.88  0.0  0.47  1.0
  Nb  Nb2  1  0.0  0.48  0.44  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_LaNb2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.95
_cell_length_c   5.81
_cell_angle_alpha   115.21
_cell_angle_beta   108.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2Te
_chemical_formula_sum   'La1 Nb2 Te1'
_cell_volume   91.55
_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
  La  La0  1  0.0  0.91  0.91  1.0
  Nb  Nb1  1  0.0  0.47  0.59  1.0
  Nb  Nb2  1  0.52  0.96  0.96  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

La Nb Nb Te
La Nb Nb Te 0 3 o o + 0 1 - o o 0 2 o - o 0 2 o o + 1 2 + - o 1 3 + o + 2 3 o + + 2 3 o o o 