data_GaTeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.02
_cell_length_b   7.86
_cell_length_c   3.05
_cell_angle_alpha   81.85
_cell_angle_beta   76.06
_cell_angle_gamma   22.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTeAs
_chemical_formula_sum   'Ga1 Te1 As1'
_cell_volume   68.32
_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  Ga1  1  0.84  0.43  0.99  1.0
  Te  Te2  1  0.84  0.43  0.04  1.0
  As  As0  1  0.84  0.43  0.25  1.0

data_GaTeAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.68
_cell_length_b   15.29
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   127.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaTeAs
_chemical_formula_sum   'Ga2 Te2 As2'
_cell_volume   136.64
_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  0.49  0.5  0.84  1.0
  Te  Te1  2  0.04  0.0  0.88  1.0
  As  As2  2  0.25  0.0  0.1  1.0

Ga Te As
Ga Te As 0 1 o o + 0 2 o o + 1 2 o o o 