data_Cr2BTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   139.3
_cell_angle_beta   116.57
_cell_angle_gamma   78.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2BTe
_chemical_formula_sum   'Cr2 B1 Te1'
_cell_volume   52.66
_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  0.57  0.0  0.33  1.0
  Cr  Cr2  1  0.0  0.38  0.19  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.51  1.0

data_Cr2BTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   63.43
_cell_angle_beta   69.65
_cell_angle_gamma   69.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2BTe
_chemical_formula_sum   'Cr2 B1 Te1'
_cell_volume   52.66
_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  0.43  0.33  1.0
  Cr  Cr1  1  0.38  0.0  0.81  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.51  1.0

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