data_LaTa2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   34.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa2B
_chemical_formula_sum   'La1 Ta2 B1'
_cell_volume   85.87
_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  La1  1  0.01  0.0  0.71  1.0
  Ta  Ta2  1  0.0  0.0  0.79  1.0
  Ta  Ta3  1  0.01  0.0  0.93  1.0
  B  B0  1  0.0  0.0  0.15  1.0

data_LaTa2B
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.62
_cell_length_b   4.02
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   107.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaTa2B
_chemical_formula_sum   'La1 Ta2 B1'
_cell_volume   85.87
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.29  0.0  0.29  1.0
  Ta  Ta1  1  0.07  0.0  0.07  1.0
  Ta  Ta2  1  0.21  0.0  0.21  1.0
  B  B3  1  0.85  0.0  0.85  1.0

La Ta Ta B