data_Ga2CoMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CoMo
_chemical_formula_sum   'Ga2 Co1 Mo1'
_cell_volume   58.35
_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  0.38  0.38  0.31  1.0
  Ga  Ga2  1  0.0  0.0  0.02  1.0
  Co  Co0  1  0.0  0.0  0.7  1.0
  Mo  Mo3  1  0.38  0.38  0.04  1.0

data_Ga2CoMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2CoMo
_chemical_formula_sum   'Ga4 Co2 Mo2'
_cell_volume   116.69
_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  0.0  0.0  0.02  1.0
  Ga  Ga1  2  0.38  0.0  0.31  1.0
  Co  Co2  2  0.0  0.0  0.7  1.0
  Mo  Mo3  2  0.38  0.0  0.04  1.0

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