data_[Re1Tc2P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Tc  1.9000  1.3500  0.7417
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.8952]
_cell_length_b [2.8952]
_cell_length_c [6.5526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [ReTc2P]
_chemical_formula_sum '[Re1 Tc2 P1]'
_cell_volume [54.9253]
_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
[
  Tc  Tc0  1  0.0000  0.0000  0.0004  1
  Tc  Tc1  1  0.5000  0.5000  0.2792  1
  Re  Re2  1  0.5000  0.5000  0.7231  1
  P  P3  1  0.0000  0.0000  0.4972  1
]