data_Cr2BTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.01
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   91.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2BTe
_chemical_formula_sum   'Cr2 B1 Te1'
_cell_volume   61.62
_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  0.33  0.01  0.66  1.0
  Cr  Cr2  1  0.98  0.0  0.73  1.0
  B  B0  1  0.29  0.0  0.33  1.0
  Te  Te3  1  0.86  0.01  0.44  1.0

data_Cr2BTe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.16
_cell_length_b   4.01
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   91.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cr2BTe
_chemical_formula_sum   'Cr2 B1 Te1'
_cell_volume   61.62
_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  0.33  0.0  0.66  1.0
  Cr  Cr1  1  0.98  0.0  0.73  1.0
  B  B2  1  0.29  0.0  0.33  1.0
  Te  Te3  1  0.86  0.0  0.44  1.0

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