data_Tl2CrGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61
_cell_length_b   7.61
_cell_length_c   4.0
_cell_angle_alpha   100.39
_cell_angle_beta   100.39
_cell_angle_gamma   23.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CrGe
_chemical_formula_sum   'Tl2 Cr1 Ge1'
_cell_volume   89.87
_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
  Tl  Tl2  1  0.28  0.0  0.31  1.0
  Tl  Tl3  1  0.9  0.0  0.61  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.09  0.0  0.96  1.0

data_Tl2CrGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.0
_cell_length_c   7.61
_cell_angle_alpha   100.39
_cell_angle_beta   101.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CrGe
_chemical_formula_sum   'Tl2 Cr1 Ge1'
_cell_volume   89.87
_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
  Tl  Tl0  1  0.0  0.31  0.28  1.0
  Tl  Tl1  1  0.0  0.61  0.9  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.96  0.09  1.0

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