data_LaTlCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   132.72
_cell_angle_beta   132.72
_cell_angle_gamma   69.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlCr2
_chemical_formula_sum   'La1 Tl1 Cr2'
_cell_volume   87.37
_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  La2  1  0.0  0.0  0.52  1.0
  Tl  Tl3  1  0.0  0.2  0.26  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.2  0.0  0.26  1.0

data_LaTlCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   5.48
_cell_angle_alpha   113.64
_cell_angle_beta   113.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlCr2
_chemical_formula_sum   'La1 Tl1 Cr2'
_cell_volume   87.37
_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  0.52  0.52  0.52  1.0
  Tl  Tl1  1  0.06  0.26  0.06  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.26  0.06  0.06  1.0

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