data_YTa2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   4.89
_cell_angle_alpha   114.56
_cell_angle_beta   114.56
_cell_angle_gamma   34.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Cr
_chemical_formula_sum   'Y1 Ta2 Cr1'
_cell_volume   77.4
_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  0.16  1.0
  Ta  Ta1  1  0.31  0.0  0.23  1.0
  Ta  Ta2  1  0.05  0.0  0.42  1.0
  Cr  Cr0  1  0.38  0.0  0.79  1.0

data_YTa2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.89
_cell_length_c   5.56
_cell_angle_alpha   114.56
_cell_angle_beta   107.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Cr
_chemical_formula_sum   'Y1 Ta2 Cr1'
_cell_volume   77.4
_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  0.16  0.0  1.0
  Ta  Ta1  1  0.0  0.23  0.31  1.0
  Ta  Ta2  1  0.0  0.42  0.05  1.0
  Cr  Cr3  1  0.0  0.79  0.38  1.0

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