data_AlTe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   4.08
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   106.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTe2Se
_chemical_formula_sum   'Al1 Te2 Se1'
_cell_volume   110.02
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.64  0.04  0.95  1.0
  Te  Te3  1  0.17  0.04  0.14  1.0
  Se  Se1  1  0.26  0.0  0.55  1.0

data_AlTe2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   5.3
_cell_length_c   5.31
_cell_angle_alpha   106.27
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTe2Se
_chemical_formula_sum   'Al1 Te2 Se1'
_cell_volume   110.02
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.96  0.36  0.05  1.0
  Te  Te2  1  0.96  0.83  0.86  1.0
  Se  Se3  1  0.0  0.74  0.45  1.0

Al Te Te Se
Al Te Te Se 0 2 o o o 0 1 - o - 1 3 o o o 2 3 o o o 