data_Li2MgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgSe
_chemical_formula_sum   'Li2 Mg1 Se1'
_cell_volume   72.11
_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  0.35  0.0  0.08  1.0
  Li  Li1  1  0.35  0.0  0.72  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.9  1.0

data_Li2MgSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgSe
_chemical_formula_sum   'Li2 Mg1 Se1'
_cell_volume   72.11
_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  0.35  0.0  0.08  1.0
  Li  Li1  1  0.35  0.0  0.72  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.9  1.0

Li Li Mg Se
Li Li Mg Se 0 2 o o o 1 3 o o o 2 3 o o - 