data_LiZrMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   144.26
_cell_angle_beta   142.93
_cell_angle_gamma   52.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrMn
_chemical_formula_sum   'Li1 Zr1 Mn1'
_cell_volume   51.4
_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  0.31  1.0
  Zr  Zr2  1  0.0  0.0  0.4  1.0
  Mn  Mn1  1  0.0  0.0  0.22  1.0

data_LiZrMn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.35
_cell_length_c   5.28
_cell_angle_alpha   108.53
_cell_angle_beta   107.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrMn
_chemical_formula_sum   'Li1 Zr1 Mn1'
_cell_volume   51.4
_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  0.69  0.69  0.69  1.0
  Zr  Zr1  1  0.6  0.6  0.6  1.0
  Mn  Mn2  1  0.78  0.78  0.78  1.0

Li Zr Mn