data_AgBMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   146.03
_cell_angle_beta   128.76
_cell_angle_gamma   62.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBMo2
_chemical_formula_sum   'Ag1 B1 Mo2'
_cell_volume   55.53
_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  0.0  0.18  0.4  1.0
  B  B1  1  0.0  0.0  0.5  1.0
  Mo  Mo2  1  0.0  0.18  0.82  1.0
  Mo  Mo3  1  0.0  0.0  0.21  1.0

data_AgBMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.37
_cell_length_c   5.05
_cell_angle_alpha   115.62
_cell_angle_beta   106.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBMo2
_chemical_formula_sum   'Ag1 B1 Mo2'
_cell_volume   55.53
_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  0.6  0.79  0.79  1.0
  B  B1  1  0.5  0.5  0.5  1.0
  Mo  Mo2  1  0.18  0.37  0.37  1.0
  Mo  Mo3  1  0.79  0.79  0.79  1.0

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