data_Cu2B2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   7.1
_cell_angle_alpha   157.37
_cell_angle_beta   157.37
_cell_angle_gamma   32.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2B2Pt
_chemical_formula_sum   'Cu2 B2 Pt1'
_cell_volume   53.04
_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  0.61  1.0
  Cu  Cu3  1  0.0  0.0  0.04  1.0
  B  B0  1  0.0  0.39  0.41  1.0
  B  B1  1  0.39  0.0  0.41  1.0
  Pt  Pt4  1  0.0  0.0  0.0  1.0

data_Cu2B2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   106.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2B2Pt
_chemical_formula_sum   'Cu4 B4 Pt2'
_cell_volume   106.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.04  0.0  0.04  1.0
  Cu  Cu1  2  0.11  0.5  0.61  1.0
  B  B2  4  0.22  0.2  0.02  1.0
  Pt  Pt3  2  0.0  0.0  0.0  1.0

Cu Cu B B Pt
Cu Cu B B Pt 0 0 + o + 0 0 o + + 0 2 o o + 0 2 o - o 0 3 - o o 0 3 o o + 0 4 o o + 0 1 o o + 1 4 o o o 1 2 o o o 1 3 o o o 2 4 o o o 3 4 o o o 