data_CrBi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBi2Te
_chemical_formula_sum   'Cr1 Bi2 Te1'
_cell_volume   102.35
_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  Cr2  1  0.0  0.0  0.66  1.0
  Bi  Bi0  1  0.0  0.0  0.54  1.0
  Bi  Bi1  1  0.28  0.0  0.57  1.0
  Te  Te3  1  0.28  0.0  0.26  1.0

data_CrBi2Te
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CrBi2Te
_chemical_formula_sum   'Cr1 Bi2 Te1'
_cell_volume   102.38
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.66  1.0
  Bi  Bi1  1  0.0  0.0  0.54  1.0
  Bi  Bi2  1  0.28  0.0  0.57  1.0
  Te  Te3  1  0.28  0.0  0.26  1.0

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