data_SrTa2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   4.82
_cell_angle_alpha   109.42
_cell_angle_beta   109.42
_cell_angle_gamma   27.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa2Br
_chemical_formula_sum   'Sr1 Ta2 Br1'
_cell_volume   95.76
_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  Sr1  1  0.72  0.0  0.27  1.0
  Ta  Ta2  1  0.3  0.0  0.39  1.0
  Ta  Ta3  1  0.15  0.0  0.14  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_SrTa2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.82
_cell_length_c   6.75
_cell_angle_alpha   109.42
_cell_angle_beta   103.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa2Br
_chemical_formula_sum   'Sr1 Ta2 Br1'
_cell_volume   95.76
_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  0.27  0.72  1.0
  Ta  Ta1  1  0.0  0.14  0.15  1.0
  Ta  Ta2  1  0.0  0.39  0.3  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sr Ta Ta Br