data_LaTaZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.25
_cell_angle_alpha   116.05
_cell_angle_beta   116.05
_cell_angle_gamma   30.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaZn2
_chemical_formula_sum   'La1 Ta1 Zn2'
_cell_volume   81.16
_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  0.39  0.0  0.32  1.0
  Ta  Ta1  1  0.2  0.0  0.62  1.0
  Zn  Zn2  1  0.1  0.0  0.04  1.0
  Zn  Zn3  1  0.6  0.0  0.03  1.0

data_LaTaZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.25
_cell_length_c   5.83
_cell_angle_alpha   116.05
_cell_angle_beta   105.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaZn2
_chemical_formula_sum   'La1 Ta1 Zn2'
_cell_volume   81.16
_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  0.32  0.39  1.0
  Ta  Ta1  1  0.0  0.62  0.2  1.0
  Zn  Zn2  1  0.0  0.03  0.6  1.0
  Zn  Zn3  1  0.0  0.04  0.1  1.0

La Ta Zn Zn