data_YCo3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCo3Ni2
_chemical_formula_sum   'Y1 Co3 Ni2'
_cell_volume   82.1
_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  Y0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.43  0.0  0.0  1.0
  Co  Co2  1  0.78  0.11  0.0  1.0
  Co  Co3  1  0.22  0.11  0.0  1.0
  Ni  Ni4  1  0.0  0.81  0.0  1.0
  Ni  Ni5  1  0.43  0.4  0.0  1.0

data_YCo3Ni2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.86
_cell_length_b   4.01
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YCo3Ni2
_chemical_formula_sum   'Y1 Co3 Ni2'
_cell_volume   82.1
_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  0.0  0.0  0.0  1.0
  Co  Co1  1  0.22  0.0  0.11  1.0
  Co  Co2  1  0.43  0.0  0.0  1.0
  Co  Co3  1  0.78  0.0  0.11  1.0
  Ni  Ni4  1  0.0  0.0  0.81  1.0
  Ni  Ni5  1  0.43  0.0  0.4  1.0

Y Co Co Co Ni Ni
Y Co Co Co Ni Ni 0 4 o - o 0 3 o o o 0 2 - o o 1 3 o o o 1 2 o o o 3 5 o o o 