data_LaTa2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.31
_cell_angle_alpha   102.45
_cell_angle_beta   102.45
_cell_angle_gamma   31.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa2Zn
_chemical_formula_sum   'La1 Ta2 Zn1'
_cell_volume   82.63
_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  La0  1  0.7  0.0  0.59  1.0
  Ta  Ta1  1  1.0  0.0  0.07  1.0
  Ta  Ta2  1  0.41  0.0  0.11  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_LaTa2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.31
_cell_length_c   5.51
_cell_angle_alpha   102.45
_cell_angle_beta   105.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa2Zn
_chemical_formula_sum   'La1 Ta2 Zn1'
_cell_volume   82.63
_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  La0  1  0.0  0.59  0.7  1.0
  Ta  Ta1  1  0.0  0.07  1.0  1.0
  Ta  Ta2  1  0.0  0.11  0.41  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

La Ta Ta Zn
La Ta Ta Zn 0 2 o o o 0 0 + - o 0 3 + o + 0 1 o o + 1 3 + o o 1 2 + o o 2 3 o o o 