data_ScCrP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   41.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrP2
_chemical_formula_sum   'Sc1 Cr1 P2'
_cell_volume   64.31
_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  Sc3  1  0.0  0.0  0.3  1.0
  Cr  Cr0  1  0.17  0.0  0.76  1.0
  P  P1  1  0.0  0.0  0.68  1.0
  P  P2  1  0.17  0.0  0.04  1.0

data_ScCrP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.34
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   110.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrP2
_chemical_formula_sum   'Sc1 Cr1 P2'
_cell_volume   64.31
_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  0.7  0.0  0.7  1.0
  Cr  Cr1  1  0.24  0.17  0.24  1.0
  P  P2  1  0.32  0.0  0.32  1.0
  P  P3  1  0.96  0.17  0.96  1.0

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