data_TeP2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   7.62
_cell_angle_alpha   99.02
_cell_angle_beta   99.02
_cell_angle_gamma   45.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeP2Ru
_chemical_formula_sum   'Te1 P2 Ru1'
_cell_volume   80.13
_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
  Te  Te3  1  0.94  0.0  0.75  1.0
  P  P0  1  0.79  0.0  0.32  1.0
  P  P1  1  0.09  0.0  0.18  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_TeP2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   3.89
_cell_length_c   7.62
_cell_angle_alpha   99.02
_cell_angle_beta   90.0
_cell_angle_gamma   112.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeP2Ru
_chemical_formula_sum   'Te1 P2 Ru1'
_cell_volume   80.13
_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
  Te  Te0  1  0.0  0.06  0.25  1.0
  P  P1  1  0.0  0.21  0.68  1.0
  P  P2  1  0.0  0.91  0.82  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Te P P Ru