data_LaZrTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   147.47
_cell_angle_beta   138.01
_cell_angle_gamma   54.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrTi
_chemical_formula_sum   'La1 Zr1 Ti1'
_cell_volume   75.64
_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  0.27  1.0
  Ti  Ti1  1  0.0  0.0  0.31  1.0

data_LaZrTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.27
_cell_length_c   5.96
_cell_angle_alpha   110.99
_cell_angle_beta   106.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrTi
_chemical_formula_sum   'La1 Zr1 Ti1'
_cell_volume   75.64
_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  0.73  0.73  0.73  1.0
  Ti  Ti2  1  0.69  0.69  0.69  1.0

La Zr Ti