data_La2TlCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93
_cell_length_b   9.93
_cell_length_c   9.93
_cell_angle_alpha   21.14
_cell_angle_beta   21.14
_cell_angle_gamma   21.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TlCr
_chemical_formula_sum   'La2 Tl1 Cr1'
_cell_volume   111.64
_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  0.0  0.0  0.41  1.0
  La  La2  1  0.0  0.0  0.71  1.0
  Tl  Tl3  1  0.0  0.0  0.56  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_La2TlCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.31
_cell_length_b   3.64
_cell_length_c   9.93
_cell_angle_alpha   90.0
_cell_angle_beta   102.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2TlCr
_chemical_formula_sum   'La4 Tl2 Cr2'
_cell_volume   223.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.29  1.0
  La  La1  2  0.0  0.0  0.59  1.0
  Tl  Tl2  2  0.0  0.0  0.44  1.0
  Cr  Cr3  2  0.0  0.0  0.0  1.0

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