data_BaLa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93
_cell_length_b   6.93
_cell_length_c   3.77
_cell_angle_alpha   103.27
_cell_angle_beta   103.27
_cell_angle_gamma   118.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Sn
_chemical_formula_sum   'Ba1 La2 Sn1'
_cell_volume   142.99
_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  0.57  0.0  0.0  1.0
  La  La1  1  0.94  0.03  0.69  1.0
  La  La2  1  0.94  0.97  0.69  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

data_BaLa2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   6.41
_cell_length_c   6.93
_cell_angle_alpha   115.97
_cell_angle_beta   103.27
_cell_angle_gamma   95.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Sn
_chemical_formula_sum   'Ba1 La2 Sn1'
_cell_volume   142.99
_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  0.57  1.0
  La  La1  1  0.66  0.97  0.91  1.0
  La  La2  1  0.72  0.03  0.97  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

Ba La La Sn
Ba La La Sn 0 2 o - - 0 2 o - o 0 3 + o o 0 1 o o - 0 1 o o o 1 2 o - o 1 3 + o + 2 3 + + + 