data_Sc2Cu2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52
_cell_length_b   7.52
_cell_length_c   7.52
_cell_angle_alpha   151.43
_cell_angle_beta   151.43
_cell_angle_gamma   40.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Cu2Te
_chemical_formula_sum   'Sc2 Cu2 Te1'
_cell_volume   97.0
_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  0.66  1.0
  Sc  Sc3  1  0.0  0.0  0.44  1.0
  Cu  Cu0  1  0.0  0.86  0.52  1.0
  Cu  Cu1  1  0.86  0.0  0.52  1.0
  Te  Te4  1  0.0  0.0  0.0  1.0

data_Sc2Cu2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   110.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2Cu2Te
_chemical_formula_sum   'Sc4 Cu4 Te2'
_cell_volume   194.01
_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  0.34  1.0
  Sc  Sc1  2  0.0  0.0  0.56  1.0
  Cu  Cu2  4  0.43  0.43  0.33  1.0
  Te  Te3  2  0.0  0.0  0.0  1.0

Sc Sc Cu Cu Te
Sc Sc Cu Cu Te 0 3 - o o 0 2 o - o 0 1 o o o 0 4 o o + 1 3 - o o 1 2 o - o 2 4 o + + 3 4 + o + 