data_Mg2MnZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   4.41
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   100.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnZn
_chemical_formula_sum   'Mg2 Mn1 Zn1'
_cell_volume   63.23
_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  0.93  0.2  0.01  1.0
  Mg  Mg1  1  0.78  0.2  0.26  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.86  0.0  0.63  1.0

data_Mg2MnZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.41
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   100.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnZn
_chemical_formula_sum   'Mg2 Mn1 Zn1'
_cell_volume   63.23
_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  0.78  0.2  0.26  1.0
  Mg  Mg1  1  0.93  0.2  0.01  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.86  0.0  0.63  1.0

Mg Mg Mn Zn
Mg Mg Mn Zn 0 2 + o o 0 1 o o o 0 3 o o - 1 3 o o o 2 3 - o - 