data_BaLaIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   6.67
_cell_angle_alpha   131.87
_cell_angle_beta   131.87
_cell_angle_gamma   70.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaIn2
_chemical_formula_sum   'Ba1 La1 In2'
_cell_volume   161.09
_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  0.45  1.0
  La  La3  1  0.72  0.0  0.72  1.0
  In  In1  1  0.0  0.72  0.72  1.0
  In  In2  1  0.0  0.0  0.0  1.0

data_BaLaIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   6.67
_cell_angle_alpha   114.07
_cell_angle_beta   114.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaIn2
_chemical_formula_sum   'Ba1 La1 In2'
_cell_volume   161.09
_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  0.45  0.45  0.45  1.0
  La  La1  1  0.72  0.0  0.0  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.72  0.0  1.0

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