data_LaZr2Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.88
_cell_angle_alpha   95.57
_cell_angle_beta   95.57
_cell_angle_gamma   33.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZr2Ta
_chemical_formula_sum   'La1 Zr2 Ta1'
_cell_volume   97.61
_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  0.94  0.0  0.9  1.0
  Zr  Zr2  1  0.04  0.0  0.06  1.0
  Zr  Zr3  1  0.32  0.0  0.56  1.0
  Ta  Ta1  1  0.71  0.0  0.25  1.0

data_LaZr2Ta
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.53
_cell_length_c   5.88
_cell_angle_alpha   95.57
_cell_angle_beta   90.0
_cell_angle_gamma   106.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZr2Ta
_chemical_formula_sum   'La1 Zr2 Ta1'
_cell_volume   97.61
_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  0.06  0.1  1.0
  Zr  Zr1  1  0.0  0.68  0.44  1.0
  Zr  Zr2  1  0.0  0.96  0.94  1.0
  Ta  Ta3  1  0.0  0.29  0.75  1.0

La Zr Zr Ta