data_In2CuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   151.99
_cell_angle_beta   134.02
_cell_angle_gamma   54.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2CuSn
_chemical_formula_sum   'In2 Cu1 Sn1'
_cell_volume   94.72
_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
  In  In1  1  0.0  0.56  0.26  1.0
  In  In2  1  0.0  0.0  0.98  1.0
  Cu  Cu0  1  0.0  0.0  0.72  1.0
  Sn  Sn3  1  0.0  0.56  0.51  1.0

data_In2CuSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.12
_cell_length_c   6.56
_cell_angle_alpha   112.99
_cell_angle_beta   104.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2CuSn
_chemical_formula_sum   'In2 Cu1 Sn1'
_cell_volume   94.72
_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
  In  In0  1  0.0  0.98  0.98  1.0
  In  In1  1  0.44  0.7  0.7  1.0
  Cu  Cu2  1  0.0  0.72  0.72  1.0
  Sn  Sn3  1  0.44  0.95  0.95  1.0

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