data_YZn2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   144.28
_cell_angle_beta   139.45
_cell_angle_gamma   55.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn2Br
_chemical_formula_sum   'Y1 Zn2 Br1'
_cell_volume   87.83
_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  Y1  1  0.0  0.0  0.46  1.0
  Zn  Zn2  1  0.89  0.0  0.78  1.0
  Zn  Zn3  1  0.0  0.13  0.68  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_YZn2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.26
_cell_length_c   6.15
_cell_angle_alpha   110.27
_cell_angle_beta   107.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn2Br
_chemical_formula_sum   'Y1 Zn2 Br1'
_cell_volume   87.83
_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  0.54  0.54  0.54  1.0
  Zn  Zn1  1  0.11  0.22  0.11  1.0
  Zn  Zn2  1  0.32  0.45  0.45  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Y Zn Zn Br