data_ScCr2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   135.41
_cell_angle_beta   135.41
_cell_angle_gamma   64.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCr2Te
_chemical_formula_sum   'Sc1 Cr2 Te1'
_cell_volume   70.4
_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  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.43  1.0
  Cr  Cr1  1  0.0  0.99  0.22  1.0
  Te  Te3  1  0.99  0.0  0.22  1.0

data_ScCr2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   122.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCr2Te
_chemical_formula_sum   'Sc2 Cr4 Te2'
_cell_volume   140.81
_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  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.0  0.0  0.43  1.0
  Cr  Cr2  2  0.0  0.0  0.22  1.0
  Te  Te3  2  0.0  0.0  0.22  1.0

Sc Cr Cr Te
Sc Cr Cr Te 0 3 - o o 0 2 o - o 1 3 - o o 1 2 o - o 2 3 - + o 