data_ScCrTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   126.64
_cell_angle_beta   116.34
_cell_angle_gamma   87.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrTe2
_chemical_formula_sum   'Sc1 Cr1 Te2'
_cell_volume   82.59
_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  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.57  1.0
  Te  Te2  1  0.0  0.61  0.6  1.0
  Te  Te3  1  0.22  0.0  0.96  1.0

data_ScCrTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   63.66
_cell_angle_beta   63.32
_cell_angle_gamma   63.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrTe2
_chemical_formula_sum   'Sc1 Cr1 Te2'
_cell_volume   82.59
_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  0.0  0.0  1.0
  Cr  Cr1  1  0.57  -0.0  0.43  1.0
  Te  Te2  1  0.6  -0.0  0.01  1.0
  Te  Te3  1  0.74  0.22  0.04  1.0

Sc Cr Te Te