data_Y2TcP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   42.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TcP
_chemical_formula_sum   'Y2 Tc1 P1'
_cell_volume   85.59
_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  Y2  1  0.0  0.0  0.61  1.0
  Y  Y3  1  0.91  0.0  0.83  1.0
  Tc  Tc1  1  0.91  0.0  0.9  1.0
  P  P0  1  0.0  0.0  0.44  1.0

data_Y2TcP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.16
_cell_length_c   5.77
_cell_angle_alpha   111.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TcP
_chemical_formula_sum   'Y2 Tc1 P1'
_cell_volume   85.59
_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  0.0  0.61  0.61  1.0
  Y  Y1  1  0.09  0.83  0.83  1.0
  Tc  Tc2  1  0.09  0.9  0.9  1.0
  P  P3  1  0.0  0.44  0.44  1.0

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