data_InCu2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83
_cell_length_b   7.83
_cell_length_c   7.83
_cell_angle_alpha   23.07
_cell_angle_beta   23.07
_cell_angle_gamma   23.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCu2P
_chemical_formula_sum   'In1 Cu2 P1'
_cell_volume   64.73
_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  0.0  0.0  0.43  1.0
  Cu  Cu0  1  0.0  0.0  0.83  1.0
  Cu  Cu1  1  0.0  0.0  0.03  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_InCu2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   3.13
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   103.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InCu2P
_chemical_formula_sum   'In2 Cu4 P2'
_cell_volume   129.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.57  1.0
  Cu  Cu1  2  -0.0  0.0  0.17  1.0
  Cu  Cu2  2  0.0  0.0  0.97  1.0
  P  P3  2  -0.0  0.0  0.0  1.0

In Cu Cu P
In Cu Cu P 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o + 1 2 o o + 2 3 o o o 
Cu2InP crystallizes in the monoclinic Cm space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one In(1) and one P(1) atom. The Cu(1)-In(1) bond length is 3.14 Å. The Cu(1)-P(1) bond length is 1.32 Å. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one In(1) and one P(1) atom. The Cu(2)-In(1) bond length is 3.14 Å. The Cu(2)-P(1) bond length is 0.23 Å. In(1) is bonded to one Cu(1), one Cu(2), and six equivalent In(1) atoms to form a mixture of distorted corner and edge-sharing InIn6Cu2 hexagonal bipyramids. All In(1)-In(1) bond lengths are 3.13 Å. P(1) is bonded in a distorted linear geometry to one Cu(1) and one Cu(2) atom.