data_LiMnZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54
_cell_length_b   2.54
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnZn
_chemical_formula_sum   'Li1 Mn1 Zn1'
_cell_volume   37.7
_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
  Li  Li0  1  0.0  0.0  0.05  1.0
  Mn  Mn1  1  0.0  0.47  0.25  1.0
  Zn  Zn2  1  0.27  0.73  0.45  1.0

data_LiMnZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.54
_cell_length_b   2.54
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnZn
_chemical_formula_sum   'Li1 Mn1 Zn1'
_cell_volume   37.7
_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
  Li  Li0  1  0.0  0.0  0.05  1.0
  Mn  Mn1  1  0.0  0.47  0.25  1.0
  Zn  Zn2  1  0.27  0.73  0.45  1.0

Li Mn Zn
Li Mn Zn 0 1 o o o 0 1 o - o 1 2 o o o 