data_InCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCu
_chemical_formula_sum   'In2 Cu2'
_cell_volume   78.28
_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  0.5  1.0
  In  In3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.8  0.04  0.25  1.0
  Cu  Cu1  1  0.0  0.07  0.75  1.0

data_InCu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.59
_cell_length_b   7.01
_cell_length_c   3.59
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   InCu
_chemical_formula_sum   'In2 Cu2'
_cell_volume   78.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  In0  2  0.0  0.25  0.0  1.0
  Cu  Cu1  1  -0.0  0.0  0.07  1.0
  Cu  Cu2  1  0.8  0.5  0.04  1.0

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