data_[Tc2B2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7924]
_cell_length_b [3.0237]
_cell_length_c [5.1542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TcBP]
_chemical_formula_sum '[Tc2 B2 P2]'
_cell_volume [72.8416]
_cell_formula_units_Z [2]
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
[
  Tc  Tc0  2  0.2567  0.7500  0.6249  1
  B  B1  2  0.3991  0.2500  0.9885  1
  P  P2  2  0.1835  0.2500  0.2604  1
]