data_GaMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   132.85
_cell_angle_beta   132.85
_cell_angle_gamma   68.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaMo
_chemical_formula_sum   'Ga2 Mo2'
_cell_volume   61.58
_cell_formula_units_Z   2
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  0.95  0.02  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.95  0.0  0.02  1.0
  Mo  Mo3  1  0.0  0.0  0.03  1.0

data_GaMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   124.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaMo
_chemical_formula_sum   'Ga4 Mo4'
_cell_volume   123.15
_cell_formula_units_Z   4
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  0.01  0.0  0.0  1.0
  Ga  Ga1  2  0.06  0.0  0.06  1.0
  Mo  Mo2  2  0.02  0.0  0.06  1.0
  Mo  Mo3  2  0.02  0.0  0.03  1.0

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