data_CrRe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   2.96
_cell_angle_alpha   101.93
_cell_angle_beta   101.93
_cell_angle_gamma   118.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2Te
_chemical_formula_sum   'Cr1 Re2 Te1'
_cell_volume   65.03
_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
  Re  Re1  1  0.74  0.76  0.36  1.0
  Re  Re2  1  0.74  0.24  0.36  1.0
  Te  Te3  1  0.68  0.0  0.0  1.0

data_CrRe2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.97
_cell_length_c   5.21
_cell_angle_alpha   115.52
_cell_angle_beta   101.93
_cell_angle_gamma   99.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2Te
_chemical_formula_sum   'Cr1 Re2 Te1'
_cell_volume   65.03
_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
  Re  Re1  1  0.12  0.76  0.51  1.0
  Re  Re2  1  0.59  0.24  0.98  1.0
  Te  Te3  1  0.0  0.0  0.68  1.0

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