data_Zr2SnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.27
_cell_angle_alpha   117.95
_cell_angle_beta   117.95
_cell_angle_gamma   38.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SnB
_chemical_formula_sum   'Zr2 Sn1 B1'
_cell_volume   77.47
_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
  Zr  Zr2  1  0.34  0.0  0.35  1.0
  Zr  Zr3  1  0.19  0.0  0.85  1.0
  Sn  Sn1  1  0.29  0.0  0.17  1.0
  B  B0  1  0.4  0.0  0.07  1.0

data_Zr2SnB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   5.24
_cell_length_c   5.27
_cell_angle_alpha   117.95
_cell_angle_beta   90.0
_cell_angle_gamma   109.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SnB
_chemical_formula_sum   'Zr2 Sn1 B1'
_cell_volume   77.47
_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
  Zr  Zr0  1  0.0  0.66  0.65  1.0
  Zr  Zr1  1  0.0  0.81  0.15  1.0
  Sn  Sn2  1  0.0  0.71  0.83  1.0
  B  B3  1  0.0  0.6  0.93  1.0

Zr Zr Sn B