data_YTc2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   145.52
_cell_angle_beta   131.88
_cell_angle_gamma   60.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTc2P
_chemical_formula_sum   'Y1 Tc2 P1'
_cell_volume   65.55
_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
  Y  Y3  1  0.0  0.2  0.05  1.0
  Tc  Tc1  1  0.0  0.2  0.5  1.0
  Tc  Tc2  1  0.0  0.0  0.18  1.0
  P  P0  1  0.0  0.0  0.25  1.0

data_YTc2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.4
_cell_length_c   5.4
_cell_angle_alpha   114.06
_cell_angle_beta   107.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTc2P
_chemical_formula_sum   'Y1 Tc2 P1'
_cell_volume   65.55
_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
  Y  Y0  1  0.8  0.85  0.85  1.0
  Tc  Tc1  1  0.0  0.18  0.18  1.0
  Tc  Tc2  1  0.8  0.3  0.3  1.0
  P  P3  1  0.0  0.25  0.25  1.0

Y Tc Tc P
Y Tc Tc P 0 3 o o o 0 2 o o o 1 3 o o o 2 3 o o o 