data_GaTeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95
_cell_length_b   7.95
_cell_length_c   7.95
_cell_angle_alpha   156.19
_cell_angle_beta   156.19
_cell_angle_gamma   33.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTeSe
_chemical_formula_sum   'Ga1 Te1 Se1'
_cell_volume   81.89
_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
  Ga  Ga0  1  0.0  0.0  0.77  1.0
  Te  Te2  1  0.0  0.0  0.79  1.0
  Se  Se1  1  0.0  0.0  0.87  1.0

data_GaTeSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   106.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaTeSe
_chemical_formula_sum   'Ga2 Te2 Se2'
_cell_volume   163.77
_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
  Ga  Ga0  2  0.0  0.0  0.23  1.0
  Te  Te1  2  0.0  0.0  0.21  1.0
  Se  Se2  2  0.0  0.0  0.13  1.0

Ga Te Se
Ga Te Se 0 1 o o o 1 2 o o o 