data_[Ba1Tc2P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tc  1.9000  1.3500  0.7417
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.7191]
_cell_length_b [3.8926]
_cell_length_c [6.3467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BaTc2P]
_chemical_formula_sum '[Ba1 Tc2 P1]'
_cell_volume [91.8129]
_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
[
  Ba  Ba0  1  0.6218  0.0000  0.5495  1
  Tc  Tc1  1  0.0653  0.0000  0.0607  1
  Tc  Tc2  1  0.6619  0.5000  0.0628  1
  P  P3  1  0.1511  0.5000  0.8269  1
]