data_YCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.98
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCo3
_chemical_formula_sum   'Y1 Co3'
_cell_volume   62.41
_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  Y3  1  0.76  0.99  0.59  1.0
  Co  Co0  1  0.76  0.0  0.95  1.0
  Co  Co1  1  0.0  0.0  0.49  1.0
  Co  Co2  1  0.0  0.99  0.85  1.0

data_YCo3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.52
_cell_length_b   3.98
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YCo3
_chemical_formula_sum   'Y1 Co3'
_cell_volume   62.41
_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  1  0.76  0.5  0.59  1.0
  Co  Co1  1  0.0  0.5  0.49  1.0
  Co  Co2  1  0.0  0.5  0.85  1.0
  Co  Co3  1  0.76  0.5  0.95  1.0

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