data_Sc2InP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   3.84
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   111.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2InP
_chemical_formula_sum   'Sc2 In1 P1'
_cell_volume   82.93
_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
  Sc  Sc2  1  0.22  0.92  0.54  1.0
  Sc  Sc3  1  0.35  0.0  0.53  1.0
  In  In0  1  0.4  0.92  0.88  1.0
  P  P1  1  0.21  0.0  0.92  1.0

data_Sc2InP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.11
_cell_length_c   5.63
_cell_angle_alpha   111.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2InP
_chemical_formula_sum   'Sc2 In1 P1'
_cell_volume   82.93
_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
  Sc  Sc0  1  0.0  0.65  0.47  1.0
  Sc  Sc1  1  0.08  0.78  0.46  1.0
  In  In2  1  0.08  0.6  0.12  1.0
  P  P3  1  0.0  0.79  0.08  1.0

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