data_ZrAgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   4.66
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgMo2
_chemical_formula_sum   'Zr1 Ag1 Mo2'
_cell_volume   71.27
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.89  1.0
  Mo  Mo1  1  0.32  0.33  0.28  1.0
  Mo  Mo2  1  0.32  0.33  0.5  1.0

data_ZrAgMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.66
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgMo2
_chemical_formula_sum   'Zr1 Ag1 Mo2'
_cell_volume   71.27
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.89  1.0
  Mo  Mo2  1  0.32  0.33  0.28  1.0
  Mo  Mo3  1  0.32  0.33  0.5  1.0

Zr Ag Mo Mo
Zr Ag Mo Mo 0 1 o o - 2 3 o o o 