data_Mg2GaAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   4.12
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GaAg
_chemical_formula_sum   'Mg2 Ga1 Ag1'
_cell_volume   77.23
_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  Mg2  1  0.6  0.06  0.76  1.0
  Mg  Mg3  1  0.0  0.0  0.59  1.0
  Ga  Ga1  1  0.0  0.0  0.44  1.0
  Ag  Ag0  1  0.6  0.06  0.88  1.0

data_Mg2GaAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.12
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GaAg
_chemical_formula_sum   'Mg2 Ga1 Ag1'
_cell_volume   77.23
_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  0.0  0.59  1.0
  Mg  Mg1  1  0.6  0.06  0.76  1.0
  Ga  Ga2  1  0.0  0.0  0.44  1.0
  Ag  Ag3  1  0.6  0.06  0.88  1.0

Mg Mg Ga Ag
Mg Mg Ga Ag 0 3 o o o 1 2 o o o 