data_Ba2CaLa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14
_cell_length_b   7.14
_cell_length_c   7.18
_cell_angle_alpha   99.58
_cell_angle_beta   99.58
_cell_angle_gamma   32.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CaLa
_chemical_formula_sum   'Ba2 Ca1 La1'
_cell_volume   195.47
_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  0.39  0.0  0.97  1.0
  Ba  Ba1  1  0.97  0.0  0.82  1.0
  Ca  Ca2  1  0.3  0.0  0.62  1.0
  La  La3  1  0.48  0.0  0.28  1.0

data_Ba2CaLa
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   7.14
_cell_length_c   7.18
_cell_angle_alpha   99.58
_cell_angle_beta   90.0
_cell_angle_gamma   106.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CaLa
_chemical_formula_sum   'Ba2 Ca1 La1'
_cell_volume   195.47
_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  0.03  0.18  1.0
  Ba  Ba1  1  0.0  0.61  0.03  1.0
  Ca  Ca2  1  0.0  0.7  0.38  1.0
  La  La3  1  0.0  0.52  0.72  1.0

Ba Ba Ca La