data_InCu2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCu2P
_chemical_formula_sum   'In1 Cu2 P1'
_cell_volume   62.28
_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  0.8  0.0  0.0  1.0
  Cu  Cu0  1  0.4  0.94  0.43  1.0
  Cu  Cu1  1  0.4  0.06  0.43  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_InCu2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   108.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCu2P
_chemical_formula_sum   'In1 Cu2 P1'
_cell_volume   62.28
_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  0.8  0.0  1.0
  Cu  Cu1  1  0.43  0.4  0.06  1.0
  Cu  Cu2  1  0.43  0.4  0.94  1.0
  P  P3  1  0.0  0.0  0.0  1.0

In Cu Cu P
In Cu Cu P 0 3 + o o 1 2 o + o 