data_Y2SiBr
_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   142.04
_cell_angle_beta   142.04
_cell_angle_gamma   54.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2SiBr
_chemical_formula_sum   'Y2 Si1 Br1'
_cell_volume   98.55
_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  0.08  0.0  0.84  1.0
  Y  Y3  1  0.0  0.0  0.68  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.08  0.84  1.0

data_Y2SiBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   6.4
_cell_angle_alpha   108.98
_cell_angle_beta   108.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2SiBr
_chemical_formula_sum   'Y2 Si1 Br1'
_cell_volume   98.55
_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  0.16  0.0  0.24  1.0
  Y  Y1  1  0.32  0.0  0.32  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.24  0.08  0.24  1.0

Y Y Si Br