data_Sc2AsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   141.16
_cell_angle_beta   141.16
_cell_angle_gamma   56.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AsP
_chemical_formula_sum   'Sc2 As1 P1'
_cell_volume   74.23
_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  0.91  0.0  0.54  1.0
  Sc  Sc3  1  0.0  0.0  0.08  1.0
  As  As0  1  0.0  0.91  0.54  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Sc2AsP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   5.75
_cell_angle_alpha   109.42
_cell_angle_beta   109.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AsP
_chemical_formula_sum   'Sc2 As1 P1'
_cell_volume   74.23
_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  0.08  0.08  0.08  1.0
  Sc  Sc1  1  0.54  0.63  0.63  1.0
  As  As2  1  0.63  0.54  0.63  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Sc Sc As P
Sc Sc As P 0 2 + - o 1 3 o o o 