data_ScCrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.48
_cell_length_c   3.28
_cell_angle_alpha   74.82
_cell_angle_beta   70.81
_cell_angle_gamma   34.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrSe
_chemical_formula_sum   'Sc1 Cr1 Se1'
_cell_volume   53.61
_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  Sc1  1  0.17  0.46  0.29  1.0
  Cr  Cr0  1  0.17  0.46  0.11  1.0
  Se  Se2  1  0.17  0.46  0.67  1.0

data_ScCrSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   10.07
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   131.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCrSe
_chemical_formula_sum   'Sc2 Cr2 Se2'
_cell_volume   107.22
_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
  Sc  Sc0  2  0.09  0.0  0.55  1.0
  Cr  Cr1  2  0.26  0.0  0.72  1.0
  Se  Se2  2  0.21  0.5  0.16  1.0

Sc Cr Se