data_InCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   47.37
_cell_angle_beta   47.37
_cell_angle_gamma   47.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCu
_chemical_formula_sum   'In2 Cu2'
_cell_volume   75.78
_cell_formula_units_Z   2
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
  In  In2  1  0.0  0.0  0.72  1.0
  In  In3  1  0.0  0.0  0.49  1.0
  Cu  Cu0  1  0.0  0.0  0.74  1.0
  Cu  Cu1  1  0.0  0.0  0.47  1.0

data_InCu
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   7.44
_cell_length_b   4.3
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   117.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   InCu
_chemical_formula_sum   'In4 Cu4'
_cell_volume   151.57
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  In  In0  4  0.0  0.0  0.39  1.0
  Cu  Cu1  4  0.0  0.0  0.36  1.0

In In Cu Cu
In In Cu Cu 0 2 o o o 1 3 o o o 