data_AgB2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   40.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgB2Mo
_chemical_formula_sum   'Ag1 B2 Mo1'
_cell_volume   45.86
_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
  Ag  Ag0  1  0.55  0.0  0.95  1.0
  B  B1  1  0.55  0.0  0.46  1.0
  B  B2  1  0.0  0.0  0.52  1.0
  Mo  Mo3  1  0.0  0.0  0.49  1.0

data_AgB2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.3
_cell_length_c   4.78
_cell_angle_alpha   110.21
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgB2Mo
_chemical_formula_sum   'Ag1 B2 Mo1'
_cell_volume   45.86
_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
  Ag  Ag0  1  0.45  0.95  0.95  1.0
  B  B1  1  0.0  0.52  0.52  1.0
  B  B2  1  0.45  0.46  0.46  1.0
  Mo  Mo3  1  0.0  0.49  0.49  1.0

Ag B B Mo
Ag B B Mo 0 3 o o o 0 3 + o o 0 3 + o + 0 2 o o o 0 2 + o o 0 1 o o o 0 1 o o + 1 3 + o o 1 2 + o o 2 3 o o o 