data_Cr2FeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.28
_cell_angle_alpha   101.31
_cell_angle_beta   101.31
_cell_angle_gamma   38.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeTe
_chemical_formula_sum   'Cr2 Fe1 Te1'
_cell_volume   56.1
_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  0.52  0.0  0.37  1.0
  Cr  Cr1  1  0.33  0.0  0.81  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.93  0.0  0.09  1.0

data_Cr2FeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.28
_cell_length_c   4.63
_cell_angle_alpha   101.31
_cell_angle_beta   109.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeTe
_chemical_formula_sum   'Cr2 Fe1 Te1'
_cell_volume   56.1
_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  0.37  0.52  1.0
  Cr  Cr1  1  0.0  0.81  0.33  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.09  0.93  1.0

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