data_LaTa2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   6.16
_cell_angle_alpha   95.78
_cell_angle_beta   95.78
_cell_angle_gamma   35.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa2Zn
_chemical_formula_sum   'La1 Ta2 Zn1'
_cell_volume   87.76
_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  0.09  0.0  0.59  1.0
  Ta  Ta1  1  0.74  0.0  0.71  1.0
  Ta  Ta2  1  0.8  0.0  0.64  1.0
  Zn  Zn3  1  0.5  0.0  0.38  1.0

data_LaTa2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.98
_cell_length_c   6.16
_cell_angle_alpha   95.78
_cell_angle_beta   90.0
_cell_angle_gamma   107.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa2Zn
_chemical_formula_sum   'La1 Ta2 Zn1'
_cell_volume   87.76
_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  0.91  0.41  1.0
  Ta  Ta1  1  0.0  0.2  0.36  1.0
  Ta  Ta2  1  0.0  0.26  0.29  1.0
  Zn  Zn3  1  0.0  0.5  0.62  1.0

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