data_Y4Cr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Cr3
_chemical_formula_sum   'Y4 Cr3'
_cell_volume   177.09
_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  0.0  0.0  0.6  1.0
  Y  Y4  1  0.0  0.0  0.57  1.0
  Y  Y5  1  0.0  0.32  0.0  1.0
  Y  Y6  1  0.88  0.66  0.0  1.0
  Cr  Cr0  1  0.88  0.0  0.08  1.0
  Cr  Cr1  1  0.56  0.49  0.08  1.0
  Cr  Cr2  1  0.44  0.49  0.08  1.0

data_Y4Cr3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Cr3
_chemical_formula_sum   'Y4 Cr3'
_cell_volume   177.09
_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  0.57  1.0
  Y  Y1  1  0.0  0.0  0.6  1.0
  Y  Y2  1  0.0  0.32  0.0  1.0
  Y  Y3  1  0.88  0.66  0.0  1.0
  Cr  Cr4  1  0.44  0.49  0.08  1.0
  Cr  Cr5  1  0.56  0.49  0.08  1.0
  Cr  Cr6  1  0.88  0.0  0.08  1.0

Y Y Y Y Cr Cr Cr
Y Y Y Y Cr Cr Cr 0 1 o o o 2 4 - o o 3 5 o o o 3 4 o + o 5 6 o o o 