data_Cr5Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   4.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Te3
_chemical_formula_sum   'Cr5 Te3'
_cell_volume   133.22
_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
  Cr  Cr1  1  0.83  0.18  0.0  1.0
  Cr  Cr2  1  0.83  0.82  0.0  1.0
  Cr  Cr3  1  0.03  0.0  0.08  1.0
  Cr  Cr4  1  0.3  0.0  0.08  1.0
  Te  Te5  1  0.67  0.0  0.0  1.0
  Te  Te6  1  0.67  0.36  0.08  1.0
  Te  Te7  1  0.67  0.64  0.08  1.0

data_Cr5Te3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   99.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Te3
_chemical_formula_sum   'Cr5 Te3'
_cell_volume   133.22
_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
  Cr  Cr1  1  0.0  0.83  0.82  1.0
  Cr  Cr2  1  0.0  0.83  0.18  1.0
  Cr  Cr3  1  0.08  0.03  0.0  1.0
  Cr  Cr4  1  0.08  0.3  0.0  1.0
  Te  Te5  1  0.0  0.67  0.0  1.0
  Te  Te6  1  0.08  0.67  0.36  1.0
  Te  Te7  1  0.08  0.67  0.64  1.0

Cr Cr Cr Cr Cr Te Te Te
Cr Cr Cr Cr Cr Te Te Te 0 3 o o o 0 1 - o o 0 2 - - o 0 4 o o o 1 5 o o o 1 6 o o o 2 7 o o o 2 5 o + o 2 3 + + o 3 4 o o o 6 7 o o o 