data_LiMn2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.33
_cell_length_b   3.86
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   98.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2Be
_chemical_formula_sum   'Li1 Mn2 Be1'
_cell_volume   41.36
_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  Li1  1  0.11  0.0  0.4  1.0
  Mn  Mn2  1  0.26  0.93  0.11  1.0
  Mn  Mn3  1  0.69  0.0  0.09  1.0
  Be  Be0  1  0.78  0.93  0.31  1.0

data_LiMn2Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.33
_cell_length_b   3.86
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   98.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2Be
_chemical_formula_sum   'Li1 Mn2 Be1'
_cell_volume   41.36
_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  0.11  0.0  0.4  1.0
  Mn  Mn1  1  0.26  0.93  0.11  1.0
  Mn  Mn2  1  0.69  0.0  0.09  1.0
  Be  Be3  1  0.78  0.93  0.31  1.0

Li Mn Mn Be
Li Mn Mn Be 0 3 - - o 1 2 o + o 2 3 o - o 