data_Cr2TcAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   141.44
_cell_angle_beta   127.83
_cell_angle_gamma   66.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2TcAg
_chemical_formula_sum   'Cr2 Tc1 Ag1'
_cell_volume   56.17
_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
  Cr  Cr1  1  0.61  0.0  0.87  1.0
  Cr  Cr2  1  0.0  0.14  0.2  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.07  1.0

data_Cr2TcAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.29
_cell_length_c   4.87
_cell_angle_alpha   116.09
_cell_angle_beta   109.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2TcAg
_chemical_formula_sum   'Cr2 Tc1 Ag1'
_cell_volume   56.17
_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
  Cr  Cr0  1  0.0  0.87  0.26  1.0
  Cr  Cr1  1  0.86  0.05  0.05  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.07  0.07  1.0

Cr Cr Tc Ag
Cr Cr Tc Ag 0 3 + o + 0 2 + o + 0 1 + o + 1 3 o o o 2 3 o o o 