data_Mg2MnAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   4.85
_cell_angle_alpha   106.42
_cell_angle_beta   106.42
_cell_angle_gamma   34.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnAg
_chemical_formula_sum   'Mg2 Mn1 Ag1'
_cell_volume   73.57
_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  0.08  0.0  0.11  1.0
  Mg  Mg2  1  0.4  0.0  0.37  1.0
  Mn  Mn3  1  0.23  0.0  0.35  1.0
  Ag  Ag0  1  0.31  0.0  0.13  1.0

data_Mg2MnAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.85
_cell_length_c   5.29
_cell_angle_alpha   106.42
_cell_angle_beta   107.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnAg
_chemical_formula_sum   'Mg2 Mn1 Ag1'
_cell_volume   73.57
_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  0.11  0.08  1.0
  Mg  Mg1  1  0.0  0.37  0.4  1.0
  Mn  Mn2  1  0.0  0.35  0.23  1.0
  Ag  Ag3  1  0.0  0.13  0.31  1.0

Mg Mg Mn Ag
Mg Mg Mn Ag 0 3 o o o 0 2 o o o 1 2 o o o 1 3 o o o 2 3 o o o 