data_Sr2NbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   6.88
_cell_length_c   6.88
_cell_angle_alpha   42.32
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NbTe
_chemical_formula_sum   'Sr2 Nb1 Te1'
_cell_volume   137.65
_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  0.16  0.0  0.36  1.0
  Sr  Sr2  1  0.0  0.0  0.09  1.0
  Nb  Nb0  1  0.0  0.0  0.68  1.0
  Te  Te3  1  0.16  0.0  0.57  1.0

data_Sr2NbTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.97
_cell_length_c   6.88
_cell_angle_alpha   111.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NbTe
_chemical_formula_sum   'Sr2 Nb1 Te1'
_cell_volume   137.65
_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  0.09  0.09  1.0
  Sr  Sr1  1  0.84  0.36  0.36  1.0
  Nb  Nb2  1  0.0  0.68  0.68  1.0
  Te  Te3  1  0.84  0.57  0.57  1.0

Sr Sr Nb Te
Sr Sr Nb Te 0 3 o o o 0 1 o o o 2 3 o o o 