data_LaAgB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   42.38
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAgB2
_chemical_formula_sum   'La1 Ag1 B2'
_cell_volume   65.62
_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
  La  La3  1  0.6  0.0  0.91  1.0
  Ag  Ag0  1  0.0  0.0  0.88  1.0
  B  B1  1  0.6  0.0  0.03  1.0
  B  B2  1  0.0  0.0  0.71  1.0

data_LaAgB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.99
_cell_length_c   5.52
_cell_angle_alpha   111.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAgB2
_chemical_formula_sum   'La1 Ag1 B2'
_cell_volume   65.62
_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
  La  La0  1  0.4  0.91  0.91  1.0
  Ag  Ag1  1  0.0  0.88  0.88  1.0
  B  B2  1  0.0  0.71  0.71  1.0
  B  B3  1  0.4  0.03  0.03  1.0

La Ag B B