data_BTe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   5.1
_cell_angle_alpha   90.62
_cell_angle_beta   90.62
_cell_angle_gamma   42.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BTe2Mo
_chemical_formula_sum   'B1 Te2 Mo1'
_cell_volume   80.84
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.3  0.0  0.3  1.0
  Te  Te3  1  0.71  0.0  0.8  1.0
  Mo  Mo1  1  0.51  0.0  0.55  1.0

data_BTe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.86
_cell_length_c   5.1
_cell_angle_alpha   90.62
_cell_angle_beta   90.0
_cell_angle_gamma   111.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BTe2Mo
_chemical_formula_sum   'B1 Te2 Mo1'
_cell_volume   80.84
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.29  0.2  1.0
  Te  Te2  1  0.0  0.7  0.7  1.0
  Mo  Mo3  1  0.0  0.49  0.45  1.0

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