data_BTeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.4
_cell_angle_alpha   95.77
_cell_angle_beta   95.77
_cell_angle_gamma   43.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BTeP2
_chemical_formula_sum   'B1 Te1 P2'
_cell_volume   75.18
_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  Te3  1  0.39  0.0  0.18  1.0
  P  P1  1  0.5  0.0  0.6  1.0
  P  P2  1  0.29  0.0  0.77  1.0

data_BTeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.4
_cell_length_c   4.99
_cell_angle_alpha   95.77
_cell_angle_beta   111.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BTeP2
_chemical_formula_sum   'B1 Te1 P2'
_cell_volume   75.18
_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  0.18  0.39  1.0
  P  P2  1  0.0  0.6  0.5  1.0
  P  P3  1  0.0  0.77  0.29  1.0

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