data_ScCdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   6.71
_cell_angle_alpha   146.58
_cell_angle_beta   146.58
_cell_angle_gamma   47.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdSe2
_chemical_formula_sum   'Sc1 Cd1 Se2'
_cell_volume   91.41
_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
  Cd  Cd0  1  0.0  0.93  0.07  1.0
  Se  Se2  1  0.93  0.0  0.07  1.0
  Se  Se3  1  0.0  0.0  0.13  1.0

data_ScCdSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   6.71
_cell_angle_alpha   106.71
_cell_angle_beta   106.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdSe2
_chemical_formula_sum   'Sc1 Cd1 Se2'
_cell_volume   91.41
_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
  Cd  Cd1  1  0.86  0.93  0.86  1.0
  Se  Se2  1  0.87  0.0  0.87  1.0
  Se  Se3  1  0.93  0.0  0.86  1.0

Sc Cd Se Se
Sc Cd Se Se 0 2 - o o 0 1 o - o 0 3 o o o 1 3 o + o 2 3 + o o 