data_Y2InBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   6.4
_cell_angle_alpha   131.22
_cell_angle_beta   131.22
_cell_angle_gamma   71.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2InBr2
_chemical_formula_sum   'Y2 In1 Br2'
_cell_volume   145.28
_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  Y3  1  0.0  0.64  0.6  1.0
  Y  Y4  1  0.64  0.0  0.6  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.77  1.0
  Br  Br1  1  0.0  0.0  0.63  1.0

data_Y2InBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.48
_cell_length_b   7.48
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   125.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2InBr2
_chemical_formula_sum   'Y4 In2 Br4'
_cell_volume   290.55
_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
  Y  Y0  4  0.18  0.18  0.95  1.0
  In  In1  2  0.0  0.0  0.0  1.0
  Br  Br2  2  0.0  0.0  0.63  1.0
  Br  Br3  2  0.0  0.0  0.77  1.0

Y Y In Br Br