data_In2CuAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   8.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2CuAs
_chemical_formula_sum   'In2 Cu1 As1'
_cell_volume   83.1
_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  In2  1  0.13  0.0  0.83  1.0
  In  In3  1  0.13  0.0  0.32  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.07  1.0

data_In2CuAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   8.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2CuAs
_chemical_formula_sum   'In2 Cu1 As1'
_cell_volume   83.1
_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  0.13  0.0  0.32  1.0
  In  In1  1  0.13  0.0  0.83  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.0  0.0  0.07  1.0

In In Cu As