data_GaTeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   4.47
_cell_angle_alpha   106.16
_cell_angle_beta   106.16
_cell_angle_gamma   36.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTeSe2
_chemical_formula_sum   'Ga1 Te1 Se2'
_cell_volume   99.36
_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  0.81  0.0  0.67  1.0
  Te  Te3  1  0.47  0.0  0.03  1.0
  Se  Se1  1  0.4  0.0  0.02  1.0
  Se  Se2  1  0.69  0.0  0.95  1.0

data_GaTeSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.47
_cell_length_c   6.25
_cell_angle_alpha   106.16
_cell_angle_beta   108.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTeSe2
_chemical_formula_sum   'Ga1 Te1 Se2'
_cell_volume   99.36
_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  0.67  0.81  1.0
  Te  Te1  1  0.0  0.03  0.47  1.0
  Se  Se2  1  0.0  0.02  0.4  1.0
  Se  Se3  1  0.0  0.95  0.69  1.0

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