data_SrLiTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiTa2
_chemical_formula_sum   'Sr1 Li1 Ta2'
_cell_volume   88.08
_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  0.76  0.76  0.0  1.0
  Li  Li0  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.76  0.0  0.44  1.0
  Ta  Ta3  1  0.0  0.76  0.44  1.0

data_SrLiTa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.81
_cell_length_b   7.81
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrLiTa2
_chemical_formula_sum   'Sr2 Li2 Ta4'
_cell_volume   176.15
_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  0.26  0.5  0.0  1.0
  Li  Li1  2  0.0  0.0  0.0  1.0
  Ta  Ta2  4  0.38  0.38  0.44  1.0

Sr Li Ta Ta
Sr Li Ta Ta 0 3 + o - 0 3 + o o 0 2 o + - 0 2 o + o 0 1 + + o 1 2 - o - 1 2 - o o 1 3 o - - 1 3 o - o 2 3 + - o 