data_La2Si2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   121.24
_cell_angle_beta   121.24
_cell_angle_gamma   87.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Si2Te
_chemical_formula_sum   'La2 Si2 Te1'
_cell_volume   142.45
_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  0.89  0.12  1.0
  La  La1  1  0.89  0.0  0.12  1.0
  Si  Si2  1  0.0  0.0  0.43  1.0
  Si  Si3  1  0.0  0.0  0.07  1.0
  Te  Te4  1  0.0  0.0  0.0  1.0

data_La2Si2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.19
_cell_length_b   8.19
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   133.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2Si2Te
_chemical_formula_sum   'La4 Si4 Te2'
_cell_volume   284.9
_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  4  0.32  0.45  0.77  1.0
  Si  Si1  2  0.07  0.5  0.57  1.0
  Si  Si2  2  0.43  0.5  0.93  1.0
  Te  Te3  2  0.0  0.0  0.0  1.0

La La Si Si Te
La La Si Si Te 0 3 o + o 0 1 - + o 0 2 o + o 1 3 + o o 1 2 + o o 3 4 o o o 