data_La2TlCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   10.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TlCr
_chemical_formula_sum   'La2 Tl1 Cr1'
_cell_volume   106.11
_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
  La  La1  1  0.79  0.0  0.68  1.0
  La  La2  1  0.0  0.0  0.6  1.0
  Tl  Tl3  1  0.79  0.0  0.73  1.0
  Cr  Cr0  1  0.0  0.0  0.61  1.0

data_La2TlCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   10.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TlCr
_chemical_formula_sum   'La2 Tl1 Cr1'
_cell_volume   106.11
_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
  La  La0  1  0.0  0.0  0.6  1.0
  La  La1  1  0.79  0.0  0.68  1.0
  Tl  Tl2  1  0.79  0.0  0.73  1.0
  Cr  Cr3  1  0.0  0.0  0.61  1.0

La La Tl Cr
La La Tl Cr 0 2 o o o 1 3 o o o 