data_YTl2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   128.31
_cell_angle_beta   126.6
_cell_angle_gamma   77.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Cr
_chemical_formula_sum   'Y1 Tl2 Cr1'
_cell_volume   95.79
_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  0.21  1.0
  Tl  Tl1  1  0.0  0.42  0.13  1.0
  Tl  Tl2  1  0.35  0.0  0.08  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_YTl2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   4.85
_cell_length_c   5.39
_cell_angle_alpha   116.7
_cell_angle_beta   115.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Cr
_chemical_formula_sum   'Y1 Tl2 Cr1'
_cell_volume   95.79
_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  0.79  0.79  0.79  1.0
  Tl  Tl1  1  0.27  0.92  0.27  1.0
  Tl  Tl2  1  0.87  0.29  0.29  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Y Tl Tl Cr