data_ScBTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   140.62
_cell_angle_beta   140.62
_cell_angle_gamma   56.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBTe2
_chemical_formula_sum   'Sc1 B1 Te2'
_cell_volume   87.5
_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
  Sc  Sc1  1  0.03  0.0  0.65  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.3  1.0
  Te  Te3  1  0.0  0.03  0.65  1.0

data_ScBTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   6.03
_cell_angle_alpha   109.69
_cell_angle_beta   109.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBTe2
_chemical_formula_sum   'Sc1 B1 Te2'
_cell_volume   87.5
_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
  Sc  Sc0  1  0.35  0.0  0.38  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.38  0.03  0.38  1.0
  Te  Te3  1  0.7  0.0  0.7  1.0

Sc B Te Te
Sc B Te Te 0 3 o o o 0 2 o o o 1 2 o o o 2 3 o o o 