data_MgNi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   144.11
_cell_angle_beta   129.35
_cell_angle_gamma   63.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi2Ag
_chemical_formula_sum   'Mg1 Ni2 Ag1'
_cell_volume   56.89
_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  0.49  1.0
  Ni  Ni2  1  0.55  0.0  0.12  1.0
  Ni  Ni3  1  0.0  0.0  0.99  1.0
  Ag  Ag0  1  0.55  0.0  0.21  1.0

data_MgNi2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.3
_cell_length_c   5.03
_cell_angle_alpha   115.32
_cell_angle_beta   107.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi2Ag
_chemical_formula_sum   'Mg1 Ni2 Ag1'
_cell_volume   56.89
_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  Mg0  1  0.0  0.49  0.49  1.0
  Ni  Ni1  1  0.0  0.12  0.57  1.0
  Ni  Ni2  1  0.0  0.99  0.99  1.0
  Ag  Ag3  1  0.0  0.21  0.66  1.0

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