data_YZnCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   135.99
_cell_angle_beta   135.99
_cell_angle_gamma   63.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnCr2
_chemical_formula_sum   'Y1 Zn1 Cr2'
_cell_volume   66.03
_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  0.0  0.0  0.39  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.94  0.0  0.19  1.0
  Cr  Cr1  1  0.0  0.94  0.19  1.0

data_YZnCr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   121.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YZnCr2
_chemical_formula_sum   'Y2 Zn2 Cr4'
_cell_volume   132.06
_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
  Y  Y0  2  0.11  0.5  0.61  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Cr  Cr2  4  0.27  0.47  0.74  1.0

Y Zn Cr Cr
Y Zn Cr Cr 0 2 - o o 0 3 o - o 1 2 - o o 1 3 o - o 2 3 + - o 