data_BaLa2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   133.68
_cell_angle_beta   133.68
_cell_angle_gamma   67.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Te
_chemical_formula_sum   'Ba1 La2 Te1'
_cell_volume   138.07
_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
  Ba  Ba0  1  0.0  0.0  0.36  1.0
  La  La1  1  0.0  0.54  0.68  1.0
  La  La2  1  0.54  0.0  0.68  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_BaLa2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   123.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaLa2Te
_chemical_formula_sum   'Ba2 La4 Te2'
_cell_volume   276.14
_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
  Ba  Ba0  2  0.14  0.5  0.64  1.0
  La  La1  4  0.09  0.23  0.86  1.0
  Te  Te2  2  0.0  0.0  0.0  1.0

Ba La La Te
Ba La La Te 0 1 o o o 0 3 o o o 0 2 o o o 1 3 o + + 2 3 + o + 