data_YAgB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAgB2
_chemical_formula_sum   'Y1 Ag1 B2'
_cell_volume   57.66
_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  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.76  1.0
  B  B1  1  0.01  0.0  0.85  1.0
  B  B2  1  0.01  0.0  0.67  1.0

data_YAgB2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.01
_cell_length_b   5.21
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   YAgB2
_chemical_formula_sum   'Y2 Ag2 B4'
_cell_volume   115.32
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  0.0  0.0  0.24  1.0
  B  B2  2  0.0  0.0  0.15  1.0
  B  B3  2  0.0  0.0  0.33  1.0

Y Ag B B
Y Ag B B 0 2 o o - 1 3 o o o 1 2 o o o 