data_MgNi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.7
_cell_length_b   8.7
_cell_length_c   8.7
_cell_angle_alpha   18.44
_cell_angle_beta   18.44
_cell_angle_gamma   18.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi2Ag
_chemical_formula_sum   'Mg1 Ni2 Ag1'
_cell_volume   57.43
_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
  Mg  Mg1  1  0.0  0.0  0.04  1.0
  Ni  Ni2  1  0.0  0.0  0.54  1.0
  Ni  Ni3  1  0.0  0.0  0.58  1.0
  Ag  Ag0  1  0.0  0.0  0.92  1.0

data_MgNi2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   2.79
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   100.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgNi2Ag
_chemical_formula_sum   'Mg2 Ni4 Ag2'
_cell_volume   114.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mg  Mg0  2  0.0  0.0  0.96  1.0
  Ni  Ni1  2  0.0  0.0  0.42  1.0
  Ni  Ni2  2  0.0  0.0  0.46  1.0
  Ag  Ag3  2  0.0  0.0  0.08  1.0

Mg Ni Ni Ag
Mg Ni Ni Ag 0 3 o o - 1 2 o o o 