data_BaAgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   148.13
_cell_angle_beta   125.26
_cell_angle_gamma   64.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAgMo2
_chemical_formula_sum   'Ba1 Ag1 Mo2'
_cell_volume   96.51
_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
  Ba  Ba1  1  0.0  0.8  0.73  1.0
  Ag  Ag0  1  0.0  0.0  0.87  1.0
  Mo  Mo2  1  0.0  0.0  0.52  1.0
  Mo  Mo3  1  0.67  0.0  0.18  1.0

data_BaAgMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.6
_cell_length_c   6.09
_cell_angle_alpha   117.37
_cell_angle_beta   105.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAgMo2
_chemical_formula_sum   'Ba1 Ag1 Mo2'
_cell_volume   96.51
_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
  Ba  Ba0  1  0.27  0.07  0.07  1.0
  Ag  Ag1  1  0.13  0.13  0.13  1.0
  Mo  Mo2  1  0.48  0.48  0.48  1.0
  Mo  Mo3  1  0.5  0.82  0.5  1.0

Ba Ag Mo Mo