data_FeB2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   33.61
_cell_angle_beta   33.61
_cell_angle_gamma   33.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeB2Te
_chemical_formula_sum   'Fe1 B2 Te1'
_cell_volume   56.41
_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
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.0  1.0  1.0
  B  B1  1  0.0  0.0  0.72  1.0
  Te  Te3  1  0.0  0.0  0.36  1.0

data_FeB2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.92
_cell_length_b   3.42
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   109.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeB2Te
_chemical_formula_sum   'Fe2 B4 Te2'
_cell_volume   112.82
_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
  Fe  Fe0  2  0.0  0.0  0.0  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  B  B2  2  0.0  0.0  0.28  1.0
  Te  Te3  2  0.0  0.0  0.64  1.0

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