data_SrLa2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   6.71
_cell_angle_alpha   136.24
_cell_angle_beta   136.24
_cell_angle_gamma   63.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLa2Br
_chemical_formula_sum   'Sr1 La2 Br1'
_cell_volume   142.53
_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  Sr3  1  0.0  0.5  0.85  1.0
  La  La1  1  0.5  0.0  0.85  1.0
  La  La2  1  0.0  0.0  0.7  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_SrLa2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   6.71
_cell_angle_alpha   111.88
_cell_angle_beta   111.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLa2Br
_chemical_formula_sum   'Sr1 La2 Br1'
_cell_volume   142.53
_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  0.65  0.5  0.65  1.0
  La  La1  1  0.15  0.0  0.65  1.0
  La  La2  1  0.3  0.0  0.3  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sr La La Br