data_YTaCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   147.89
_cell_angle_beta   130.48
_cell_angle_gamma   60.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaCr2
_chemical_formula_sum   'Y1 Ta1 Cr2'
_cell_volume   69.36
_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  0.36  1.0
  Ta  Ta2  1  0.54  0.0  0.68  1.0
  Cr  Cr0  1  0.54  0.0  0.35  1.0
  Cr  Cr1  1  0.0  0.0  0.07  1.0

data_YTaCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.67
_cell_length_c   5.57
_cell_angle_alpha   114.76
_cell_angle_beta   106.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaCr2
_chemical_formula_sum   'Y1 Ta1 Cr2'
_cell_volume   69.36
_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  0.36  0.36  1.0
  Ta  Ta1  1  0.0  0.68  0.14  1.0
  Cr  Cr2  1  0.0  0.07  0.07  1.0
  Cr  Cr3  1  0.0  0.35  0.81  1.0

Y Ta Cr Cr
Y Ta Cr Cr 0 3 o o o 1 2 o o o 1 3 + o + 