data_MgMnZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   149.49
_cell_angle_beta   141.15
_cell_angle_gamma   50.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnZn
_chemical_formula_sum   'Mg1 Mn1 Zn1'
_cell_volume   44.13
_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  0.03  1.0
  Mn  Mn1  1  0.0  0.0  0.39  1.0
  Zn  Zn2  1  0.0  0.0  0.96  1.0

data_MgMnZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   3.45
_cell_length_c   5.18
_cell_angle_alpha   109.42
_cell_angle_beta   105.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnZn
_chemical_formula_sum   'Mg1 Mn1 Zn1'
_cell_volume   44.13
_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  0.97  0.97  0.97  1.0
  Mn  Mn1  1  0.61  0.61  0.61  1.0
  Zn  Zn2  1  0.04  0.04  0.04  1.0

Mg Mn Zn