data_SrLaZr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.37
_cell_angle_alpha   98.24
_cell_angle_beta   98.24
_cell_angle_gamma   33.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaZr2
_chemical_formula_sum   'Sr1 La1 Zr2'
_cell_volume   123.73
_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
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  La  La0  1  0.28  0.0  0.15  1.0
  Zr  Zr2  1  0.12  0.0  0.42  1.0
  Zr  Zr3  1  0.44  0.0  0.88  1.0

data_SrLaZr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   6.0
_cell_length_c   6.37
_cell_angle_alpha   98.24
_cell_angle_beta   90.0
_cell_angle_gamma   106.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaZr2
_chemical_formula_sum   'Sr1 La1 Zr2'
_cell_volume   123.73
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.0  0.72  0.85  1.0
  Zr  Zr2  1  0.0  0.56  0.12  1.0
  Zr  Zr3  1  0.0  0.88  0.58  1.0

Sr La Zr Zr