data_YZnBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   7.04
_cell_angle_alpha   108.99
_cell_angle_beta   108.99
_cell_angle_gamma   38.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnBr2
_chemical_formula_sum   'Y1 Zn1 Br2'
_cell_volume   127.74
_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  0.6  0.0  0.33  1.0
  Zn  Zn3  1  0.91  0.0  0.69  1.0
  Br  Br0  1  0.97  0.0  0.24  1.0
  Br  Br1  1  0.6  0.0  0.66  1.0

data_YZnBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.56
_cell_length_c   7.04
_cell_angle_alpha   108.99
_cell_angle_beta   90.0
_cell_angle_gamma   109.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnBr2
_chemical_formula_sum   'Y1 Zn1 Br2'
_cell_volume   127.74
_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  0.0  0.4  0.67  1.0
  Zn  Zn1  1  0.0  0.09  0.31  1.0
  Br  Br2  1  0.0  0.03  0.76  1.0
  Br  Br3  1  0.0  0.4  0.34  1.0

Y Zn Br Br
Y Zn Br Br 0 2 o o o 0 3 o o o 0 1 o o o 1 3 o o o 