data_AgSb2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   36.49
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSb2Mo
_chemical_formula_sum   'Ag1 Sb2 Mo1'
_cell_volume   83.15
_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  0.28  0.0  0.89  1.0
  Sb  Sb2  1  0.0  0.0  0.11  1.0
  Sb  Sb3  1  0.28  0.0  0.67  1.0
  Mo  Mo1  1  0.0  0.0  0.11  1.0

data_AgSb2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.56
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   108.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSb2Mo
_chemical_formula_sum   'Ag1 Sb2 Mo1'
_cell_volume   83.15
_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  0.11  0.28  0.11  1.0
  Sb  Sb1  1  0.33  0.28  0.33  1.0
  Sb  Sb2  1  0.89  0.0  0.89  1.0
  Mo  Mo3  1  0.89  0.0  0.89  1.0

Ag Sb Sb Mo 0 2 o o o 1 3 o o o 