data_SrTi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   6.81
_cell_angle_alpha   99.99
_cell_angle_beta   99.99
_cell_angle_gamma   44.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTi2Te
_chemical_formula_sum   'Sr1 Ti2 Te1'
_cell_volume   107.76
_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
  Sr  Sr0  1  0.88  0.0  0.35  1.0
  Ti  Ti2  1  0.8  0.0  0.09  1.0
  Ti  Ti3  1  0.31  0.0  1.0  1.0
  Te  Te1  1  0.25  0.0  0.6  1.0

data_SrTi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.79
_cell_length_c   6.81
_cell_angle_alpha   99.99
_cell_angle_beta   90.0
_cell_angle_gamma   112.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTi2Te
_chemical_formula_sum   'Sr1 Ti2 Te1'
_cell_volume   107.76
_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
  Sr  Sr0  1  0.0  0.12  0.65  1.0
  Ti  Ti1  1  0.0  0.2  0.91  1.0
  Ti  Ti2  1  0.0  0.69  0.0  1.0
  Te  Te3  1  0.0  0.75  0.4  1.0

Sr Ti Ti Te
Sr Ti Ti Te 0 1 o o o 0 3 + o o 1 2 + o - 1 2 o o - 2 3 o o o 