data_CrBiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   131.98
_cell_angle_beta   131.98
_cell_angle_gamma   70.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBiTe2
_chemical_formula_sum   'Cr1 Bi1 Te2'
_cell_volume   98.84
_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  Cr1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.31  0.32  1.0
  Te  Te2  1  0.31  0.0  0.32  1.0
  Te  Te3  1  0.0  0.0  0.64  1.0

data_CrBiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   5.67
_cell_angle_alpha   114.01
_cell_angle_beta   114.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBiTe2
_chemical_formula_sum   'Cr1 Bi1 Te2'
_cell_volume   98.84
_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
  Bi  Bi1  1  0.99  0.31  0.99  1.0
  Te  Te2  1  0.36  0.0  0.36  1.0
  Te  Te3  1  0.68  0.0  0.99  1.0

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