data_CuSnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   6.23
_cell_angle_alpha   115.27
_cell_angle_beta   115.27
_cell_angle_gamma   46.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnB2
_chemical_formula_sum   'Cu1 Sn1 B2'
_cell_volume   60.55
_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
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.14  0.0  0.76  1.0
  B  B0  1  0.24  0.0  0.39  1.0
  B  B1  1  0.04  0.0  0.13  1.0

data_CuSnB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.9
_cell_length_c   5.77
_cell_angle_alpha   77.62
_cell_angle_beta   74.63
_cell_angle_gamma   66.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnB2
_chemical_formula_sum   'Cu1 Sn1 B2'
_cell_volume   60.55
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.38  0.76  1.0
  B  B2  1  0.0  0.85  0.39  1.0
  B  B3  1  0.0  0.91  0.13  1.0

Cu Sn B B
Cu Sn B B 0 3 o o o 0 1 o o - 2 3 o o o 