data_NiAgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAgMo2
_chemical_formula_sum   'Ni1 Ag1 Mo2'
_cell_volume   60.96
_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
  Ni  Ni3  1  0.0  0.0  0.46  1.0
  Ag  Ag0  1  0.63  0.0  0.31  1.0
  Mo  Mo1  1  0.0  0.0  0.57  1.0
  Mo  Mo2  1  0.63  0.0  0.35  1.0

data_NiAgMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAgMo2
_chemical_formula_sum   'Ni1 Ag1 Mo2'
_cell_volume   60.96
_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
  Ni  Ni0  1  0.0  0.0  0.46  1.0
  Ag  Ag1  1  0.63  0.0  0.31  1.0
  Mo  Mo2  1  0.0  0.0  0.57  1.0
  Mo  Mo3  1  0.63  0.0  0.35  1.0

Ni Ag Mo Mo
Ni Ag Mo Mo 0 2 o o o 1 3 o o o 