data_YZrCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   3.3
_cell_angle_alpha   92.68
_cell_angle_beta   92.68
_cell_angle_gamma   96.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrCr2
_chemical_formula_sum   'Y1 Zr1 Cr2'
_cell_volume   77.42
_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  0.0  1.0
  Zr  Zr3  1  0.24  0.0  0.0  1.0
  Cr  Cr0  1  0.5  0.82  0.64  1.0
  Cr  Cr1  1  0.5  0.18  0.64  1.0

data_YZrCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   96.61
_cell_angle_beta   92.68
_cell_angle_gamma   92.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrCr2
_chemical_formula_sum   'Y1 Zr1 Cr2'
_cell_volume   77.42
_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
  Zr  Zr1  1  0.0  0.24  0.0  1.0
  Cr  Cr2  1  0.64  0.5  0.18  1.0
  Cr  Cr3  1  0.64  0.5  0.82  1.0

Y Zr Cr Cr