data_[Ta2P1H1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.4065]
_cell_length_b [3.3190]
_cell_length_c [4.9026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta2PH]
_chemical_formula_sum '[Ta2 P1 H1]'
_cell_volume [51.9788]
_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  0.2660  0.5000  0.1528  1.0
  Ta  Ta1  1  0.5612  0.0000  0.7523  1.0
  P  P2  1  0.9661  0.5000  0.5576  1.0
  H  H3  1  0.5799  0.0000  0.1458  1.0
]