data_LaMgSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgSi2
_chemical_formula_sum   'La1 Mg1 Si2'
_cell_volume   84.44
_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
  La  La0  1  0.0  0.0  0.37  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.77  0.77  0.44  1.0
  Si  Si3  1  0.77  0.77  0.29  1.0

data_LaMgSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaMgSi2
_chemical_formula_sum   'La2 Mg2 Si4'
_cell_volume   168.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  La  La0  2  0.0  0.0  0.37  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Si  Si2  2  0.27  0.5  0.29  1.0
  Si  Si3  2  0.27  0.5  0.44  1.0

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