data_LaZnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   131.01
_cell_angle_beta   127.55
_cell_angle_gamma   74.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZnB
_chemical_formula_sum   'La1 Zn1 B1'
_cell_volume   63.79
_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  La1  1  0.0  0.0  0.5  1.0
  Zn  Zn2  1  0.0  0.0  0.32  1.0
  B  B0  1  0.0  0.0  0.4  1.0

data_LaZnB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   4.23
_cell_length_c   4.78
_cell_angle_alpha   116.22
_cell_angle_beta   114.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZnB
_chemical_formula_sum   'La1 Zn1 B1'
_cell_volume   63.79
_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  0.5  0.5  1.0
  Zn  Zn1  1  0.0  0.32  0.32  1.0
  B  B2  1  0.0  0.4  0.4  1.0

La Zn B
La Zn B 0 2 o o o 1 2 o o o 