data_LiMn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.49
_cell_length_b   4.08
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   98.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2Re
_chemical_formula_sum   'Li1 Mn2 Re1'
_cell_volume   47.96
_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  0.0  1.0
  Mn  Mn1  1  0.63  0.04  0.1  1.0
  Mn  Mn2  1  0.15  0.04  0.62  1.0
  Re  Re3  1  0.89  0.0  0.36  1.0

data_LiMn2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.49
_cell_length_b   4.08
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   98.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2Re
_chemical_formula_sum   'Li1 Mn2 Re1'
_cell_volume   47.96
_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  0.0  1.0
  Mn  Mn1  1  0.15  0.04  0.62  1.0
  Mn  Mn2  1  0.63  0.04  0.1  1.0
  Re  Re3  1  0.89  0.0  0.36  1.0

Li Mn Mn Re
Li Mn Mn Re 0 1 - o o 1 3 o o o 2 3 - o o 