data_Tc2AgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61
_cell_length_b   8.61
_cell_length_c   8.61
_cell_angle_alpha   19.05
_cell_angle_beta   19.05
_cell_angle_gamma   19.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2AgP
_chemical_formula_sum   'Tc2 Ag1 P1'
_cell_volume   59.4
_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  Tc2  1  0.0  0.0  0.69  1.0
  Tc  Tc3  1  0.0  0.0  0.66  1.0
  Ag  Ag0  1  0.0  0.0  0.67  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Tc2AgP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   2.85
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   101.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc2AgP
_chemical_formula_sum   'Tc4 Ag2 P2'
_cell_volume   118.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.31  1.0
  Tc  Tc1  2  0.0  0.0  0.34  1.0
  Ag  Ag2  2  0.0  0.0  0.33  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Tc Tc Ag P
Tc Tc Ag P 0 2 o o o 0 3 o o + 1 2 o o o 1 3 o o + 2 3 o o + 3 3 o + - 3 3 + - o 3 3 + o - 