data_CrTcTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   143.16
_cell_angle_beta   116.3
_cell_angle_gamma   75.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTcTe2
_chemical_formula_sum   'Cr1 Tc1 Te2'
_cell_volume   76.57
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.15  1.0
  Te  Te2  1  0.0  0.78  0.15  1.0
  Te  Te3  1  0.66  0.0  0.0  1.0

data_CrTcTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   63.7
_cell_angle_beta   71.58
_cell_angle_gamma   71.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTcTe2
_chemical_formula_sum   'Cr1 Tc1 Te2'
_cell_volume   76.57
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.15  0.0  0.85  1.0
  Te  Te2  1  0.15  0.0  0.63  1.0
  Te  Te3  1  0.34  0.66  1.0  1.0

Cr Tc Te Te
Cr Tc Te Te 0 1 o o o 0 3 - o o 1 2 o - o 1 3 - o o 