data_TaP2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   144.14
_cell_angle_beta   119.29
_cell_angle_gamma   72.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaP2Os
_chemical_formula_sum   'Ta1 P2 Os1'
_cell_volume   60.02
_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
  Ta  Ta3  1  0.0  0.0  0.0  1.0
  P  P1  1  0.52  0.0  0.12  1.0
  P  P2  1  0.0  0.49  0.86  1.0
  Os  Os0  1  0.0  0.0  0.97  1.0

data_TaP2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   60.71
_cell_angle_beta   72.07
_cell_angle_gamma   72.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaP2Os
_chemical_formula_sum   'Ta1 P2 Os1'
_cell_volume   60.02
_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
  Ta  Ta0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.48  0.12  1.0
  P  P2  1  0.49  -0.0  0.37  1.0
  Os  Os3  1  0.0  -0.0  0.97  1.0

Ta P P Os