data_Y2GaCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GaCo
_chemical_formula_sum   'Y2 Ga1 Co1'
_cell_volume   82.81
_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
  Y  Y2  1  0.68  0.72  0.38  1.0
  Y  Y3  1  0.67  0.72  0.61  1.0
  Ga  Ga1  1  0.96  0.0  0.5  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_Y2GaCo
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.44
_cell_length_b   6.99
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Y2GaCo
_chemical_formula_sum   'Y2 Ga1 Co1'
_cell_volume   82.81
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Y  Y0  2  0.68  0.38  0.72  1.0
  Ga  Ga1  1  0.96  0.5  0.0  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0

Y Y Ga Co
Y Y Ga Co 0 1 o o o 0 2 o + o 0 3 + + o 0 3 + o o 0 3 o + o 1 2 o + o 1 3 + + + 1 3 + o + 1 3 o + + 2 3 + o + 2 3 + o o 3 3 + o o 3 3 o + o 