data_TlCr2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   139.9
_cell_angle_beta   139.9
_cell_angle_gamma   58.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Te
_chemical_formula_sum   'Tl1 Cr2 Te1'
_cell_volume   72.24
_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  Tl3  1  0.0  0.92  0.45  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.92  0.0  0.45  1.0
  Te  Te2  1  0.0  0.0  0.9  1.0

data_TlCr2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   5.6
_cell_angle_alpha   110.05
_cell_angle_beta   110.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Te
_chemical_formula_sum   'Tl1 Cr2 Te1'
_cell_volume   72.24
_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  0.47  0.92  0.47  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.55  0.0  0.47  1.0
  Te  Te3  1  0.1  0.0  0.1  1.0

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