data_B2Te2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   7.3
_cell_angle_alpha   149.85
_cell_angle_beta   149.85
_cell_angle_gamma   43.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2Te2Se
_chemical_formula_sum   'B2 Te2 Se1'
_cell_volume   97.81
_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
  B  B0  1  0.0  0.9  0.39  1.0
  B  B1  1  0.9  0.0  0.39  1.0
  Te  Te3  1  0.0  0.0  0.73  1.0
  Te  Te4  1  0.0  0.0  0.84  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_B2Te2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   111.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   B2Te2Se
_chemical_formula_sum   'B4 Te4 Se2'
_cell_volume   195.62
_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+1/2, z'
  4  'x+1/2, -y+1/2, 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
  B  B0  4  0.45  0.45  0.5  1.0
  Te  Te1  2  0.0  0.0  0.16  1.0
  Te  Te2  2  0.0  0.0  0.27  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

B B Te Te Se
B B Te Te Se 0 1 - + o 2 3 o o o 3 4 o o + 