data_GaTcMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   4.38
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   102.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTcMo2
_chemical_formula_sum   'Ga1 Tc1 Mo2'
_cell_volume   61.46
_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  0.91  0.0  0.86  1.0
  Tc  Tc3  1  0.82  0.19  0.58  1.0
  Mo  Mo1  1  0.42  0.19  0.09  1.0
  Mo  Mo2  1  0.73  0.0  0.31  1.0

data_GaTcMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.38
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   102.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTcMo2
_chemical_formula_sum   'Ga1 Tc1 Mo2'
_cell_volume   61.46
_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  0.91  0.0  0.86  1.0
  Tc  Tc1  1  0.82  0.19  0.58  1.0
  Mo  Mo2  1  0.42  0.19  0.09  1.0
  Mo  Mo3  1  0.73  0.0  0.31  1.0

Ga Tc Mo Mo
Ga Tc Mo Mo 0 1 o o o 0 2 + o + 1 3 o o o 2 3 o o o 