data_InCuSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCuSn2
_chemical_formula_sum   'In1 Cu1 Sn2'
_cell_volume   93.49
_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  0.0  0.49  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.18  0.0  0.22  1.0
  Sn  Sn3  1  0.18  0.0  0.77  1.0

data_InCuSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCuSn2
_chemical_formula_sum   'In1 Cu1 Sn2'
_cell_volume   93.49
_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  0.0  0.49  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.18  0.0  0.22  1.0
  Sn  Sn3  1  0.18  0.0  0.77  1.0

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