data_Sr2YBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19
_cell_length_b   7.19
_cell_length_c   6.58
_cell_angle_alpha   115.07
_cell_angle_beta   115.07
_cell_angle_gamma   30.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YBr
_chemical_formula_sum   'Sr2 Y1 Br1'
_cell_volume   156.09
_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  0.45  0.0  0.27  1.0
  Sr  Sr2  1  0.17  0.0  0.3  1.0
  Y  Y3  1  0.99  0.0  0.79  1.0
  Br  Br0  1  0.86  0.0  0.51  1.0

data_Sr2YBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   6.58
_cell_length_c   7.19
_cell_angle_alpha   115.07
_cell_angle_beta   105.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YBr
_chemical_formula_sum   'Sr2 Y1 Br1'
_cell_volume   156.09
_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  0.45  1.0
  Sr  Sr1  1  0.0  0.3  0.17  1.0
  Y  Y2  1  0.0  0.79  0.99  1.0
  Br  Br3  1  0.0  0.51  0.86  1.0

Sr Sr Y Br