data_YFeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   6.74
_cell_angle_alpha   35.97
_cell_angle_beta   35.97
_cell_angle_gamma   35.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFeTe2
_chemical_formula_sum   'Y1 Fe1 Te2'
_cell_volume   94.44
_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
  Y  Y3  1  0.0  0.0  0.44  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.06  1.0
  Te  Te2  1  0.0  0.0  0.83  1.0

data_YFeTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.21
_cell_length_b   4.16
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   110.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YFeTe2
_chemical_formula_sum   'Y2 Fe2 Te4'
_cell_volume   188.87
_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
  Y  Y0  2  -0.0  0.0  0.56  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  -0.0  0.0  0.94  1.0
  Te  Te3  2  -0.0  0.0  0.17  1.0

Y Fe Te Te
Y Fe Te Te 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o - 