data_SrNiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   122.2
_cell_angle_beta   122.2
_cell_angle_gamma   86.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNiTe2
_chemical_formula_sum   'Sr1 Ni1 Te2'
_cell_volume   106.39
_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  Sr1  1  0.0  0.0  0.93  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.6  0.96  1.0
  Te  Te3  1  0.6  0.0  0.96  1.0

data_SrNiTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.36
_cell_length_b   7.36
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   133.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrNiTe2
_chemical_formula_sum   'Sr2 Ni2 Te4'
_cell_volume   212.78
_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
  Sr  Sr0  2  0.07  0.0  0.07  1.0
  Ni  Ni1  2  0.0  0.0  0.0  1.0
  Te  Te2  4  0.34  0.3  0.64  1.0

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