data_ReBTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.26
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   95.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBTe2
_chemical_formula_sum   'Re1 B1 Te2'
_cell_volume   72.0
_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
  Re  Re1  1  0.66  0.0  0.4  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.35  0.63  0.11  1.0
  Te  Te3  1  0.21  0.63  0.69  1.0

data_ReBTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.26
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   95.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBTe2
_chemical_formula_sum   'Re1 B1 Te2'
_cell_volume   72.0
_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
  Re  Re0  1  0.66  0.0  0.4  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.21  0.63  0.69  1.0
  Te  Te3  1  0.35  0.63  0.11  1.0

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