data_MgMn2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   3.79
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   92.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2Zn
_chemical_formula_sum   'Mg1 Mn2 Zn1'
_cell_volume   59.83
_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  0.0  1.0
  Mn  Mn1  1  0.36  0.9  0.48  1.0
  Mn  Mn2  1  0.25  0.9  0.11  1.0
  Zn  Zn3  1  0.9  0.0  0.8  1.0

data_MgMn2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.79
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   92.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2Zn
_chemical_formula_sum   'Mg1 Mn2 Zn1'
_cell_volume   59.83
_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  0.0  1.0
  Mn  Mn1  1  0.25  0.9  0.11  1.0
  Mn  Mn2  1  0.36  0.9  0.48  1.0
  Zn  Zn3  1  0.9  0.0  0.8  1.0

Mg Mn Mn Zn