data_LiMgSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.73
_cell_angle_alpha   97.07
_cell_angle_beta   97.07
_cell_angle_gamma   35.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgSi2
_chemical_formula_sum   'Li1 Mg1 Si2'
_cell_volume   64.79
_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  0.31  0.0  0.28  1.0
  Mg  Mg1  1  0.9  0.0  0.52  1.0
  Si  Si2  1  0.02  0.0  0.09  1.0
  Si  Si3  1  0.81  0.0  0.15  1.0

data_LiMgSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.73
_cell_length_c   4.89
_cell_angle_alpha   97.07
_cell_angle_beta   107.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgSi2
_chemical_formula_sum   'Li1 Mg1 Si2'
_cell_volume   64.79
_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  0.28  0.31  1.0
  Mg  Mg1  1  0.0  0.52  0.9  1.0
  Si  Si2  1  0.0  0.09  0.02  1.0
  Si  Si3  1  0.0  0.15  0.81  1.0

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