data_GaTeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   131.34
_cell_angle_beta   131.34
_cell_angle_gamma   71.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTeMo2
_chemical_formula_sum   'Ga1 Te1 Mo2'
_cell_volume   69.82
_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  0.0  1.0
  Te  Te3  1  0.0  0.07  0.04  1.0
  Mo  Mo1  1  0.07  0.0  0.04  1.0
  Mo  Mo2  1  0.0  0.0  0.08  1.0

data_GaTeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   5.02
_cell_angle_alpha   114.33
_cell_angle_beta   114.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTeMo2
_chemical_formula_sum   'Ga1 Te1 Mo2'
_cell_volume   69.82
_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  0.0  1.0
  Te  Te1  1  0.97  0.04  0.97  1.0
  Mo  Mo2  1  0.04  0.97  0.97  1.0
  Mo  Mo3  1  0.08  0.08  0.08  1.0

Ga Te Mo Mo
Ga Te Mo Mo 0 1 o o o 0 2 o o o 0 3 o o o 