data_Mg2MnZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   131.68
_cell_angle_beta   131.68
_cell_angle_gamma   70.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnZn
_chemical_formula_sum   'Mg2 Mn1 Zn1'
_cell_volume   70.74
_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
  Mg  Mg1  1  0.07  0.0  0.06  1.0
  Mn  Mn2  1  0.0  0.0  0.13  1.0
  Zn  Zn3  1  0.0  0.07  0.06  1.0

data_Mg2MnZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   5.06
_cell_angle_alpha   114.16
_cell_angle_beta   114.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnZn
_chemical_formula_sum   'Mg2 Mn1 Zn1'
_cell_volume   70.74
_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
  Mg  Mg1  1  0.94  0.0  0.01  1.0
  Mn  Mn2  1  0.87  0.0  0.87  1.0
  Zn  Zn3  1  0.01  0.07  0.01  1.0

Mg Mg Mn Zn