data_InCoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   3.66
_cell_angle_alpha   100.46
_cell_angle_beta   100.46
_cell_angle_gamma   108.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCoP2
_chemical_formula_sum   'In1 Co1 P2'
_cell_volume   64.43
_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  0.59  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.73  0.21  0.74  1.0
  P  P3  1  0.73  0.79  0.74  1.0

data_InCoP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   108.27
_cell_angle_beta   100.46
_cell_angle_gamma   100.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCoP2
_chemical_formula_sum   'In1 Co1 P2'
_cell_volume   64.43
_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  0.59  0.0  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.74  0.73  0.21  1.0
  P  P3  1  0.74  0.73  0.79  1.0

In Co P P
In Co P P 0 3 o - - 0 1 + o o 0 2 o o - 1 3 - - - 2 3 o - o 