data_LaZrTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   148.08
_cell_angle_beta   127.68
_cell_angle_gamma   62.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrTa
_chemical_formula_sum   'La1 Zr1 Ta1'
_cell_volume   72.02
_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  0.0  0.04  1.0
  Zr  Zr2  1  0.0  0.0  0.06  1.0
  Ta  Ta1  1  0.0  0.0  0.44  1.0

data_LaZrTa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.92
_cell_length_c   5.58
_cell_angle_alpha   116.16
_cell_angle_beta   105.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrTa
_chemical_formula_sum   'La1 Zr1 Ta1'
_cell_volume   72.02
_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  0.96  0.96  0.96  1.0
  Zr  Zr1  1  0.94  0.94  0.94  1.0
  Ta  Ta2  1  0.56  0.56  0.56  1.0

La Zr Ta
La Zr Ta 0 1 o o o 0 2 o o o 1 2 o o o 