data_CrFeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   139.34
_cell_angle_beta   131.03
_cell_angle_gamma   65.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeTe
_chemical_formula_sum   'Cr1 Fe1 Te1'
_cell_volume   44.06
_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  0.01  1.0
  Fe  Fe1  1  0.0  0.0  0.03  1.0
  Te  Te2  1  0.0  0.0  0.53  1.0

data_CrFeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.73
_cell_length_c   4.5
_cell_angle_alpha   114.49
_cell_angle_beta   110.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeTe
_chemical_formula_sum   'Cr1 Fe1 Te1'
_cell_volume   44.06
_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  0.01  0.01  1.0
  Fe  Fe1  1  0.0  0.03  0.03  1.0
  Te  Te2  1  0.0  0.53  0.53  1.0

Cr Fe Te
Cr Fe Te 0 1 o o o 0 2 o o o 0 2 o o - 1 2 o o o 1 2 o o - 