data_LaReTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   5.86
_cell_angle_alpha   117.68
_cell_angle_beta   117.68
_cell_angle_gamma   32.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaReTe2
_chemical_formula_sum   'La1 Re1 Te2'
_cell_volume   107.81
_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  0.05  0.0  0.55  1.0
  Re  Re1  1  0.55  0.0  0.58  1.0
  Te  Te2  1  0.45  0.0  0.51  1.0
  Te  Te3  1  0.85  0.0  0.05  1.0

data_LaReTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.86
_cell_length_c   6.29
_cell_angle_alpha   117.68
_cell_angle_beta   106.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaReTe2
_chemical_formula_sum   'La1 Re1 Te2'
_cell_volume   107.81
_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  0.55  0.05  1.0
  Re  Re1  1  0.0  0.58  0.55  1.0
  Te  Te2  1  0.0  0.05  0.85  1.0
  Te  Te3  1  0.0  0.51  0.45  1.0

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