data_Y2SnBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   122.94
_cell_angle_beta   117.76
_cell_angle_gamma   89.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2SnBr
_chemical_formula_sum   'Y2 Sn1 Br1'
_cell_volume   107.26
_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
  Y  Y2  1  0.55  0.0  0.87  1.0
  Y  Y3  1  0.0  0.76  0.93  1.0
  Sn  Sn1  1  0.0  0.0  0.8  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Y2SnBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.11
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   62.24
_cell_angle_beta   61.47
_cell_angle_gamma   61.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2SnBr
_chemical_formula_sum   'Y2 Sn1 Br1'
_cell_volume   107.26
_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
  Y  Y0  1  0.32  0.55  0.13  1.0
  Y  Y1  1  0.93  0.0  0.84  1.0
  Sn  Sn2  1  0.8  -0.0  0.2  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Y Y Sn Br
Y Y Sn Br 0 1 + - o 0 3 + o + 0 2 + o o 1 3 o + + 2 3 o o + 