data_TlCr2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   135.55
_cell_angle_beta   135.55
_cell_angle_gamma   64.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Ag
_chemical_formula_sum   'Tl1 Cr2 Ag1'
_cell_volume   63.96
_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
  Tl  Tl3  1  0.0  0.0  0.3  1.0
  Cr  Cr1  1  0.93  0.0  0.15  1.0
  Cr  Cr2  1  0.0  0.93  0.15  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_TlCr2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   122.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCr2Ag
_chemical_formula_sum   'Tl2 Cr4 Ag2'
_cell_volume   127.92
_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
  Tl  Tl0  2  0.2  0.5  0.7  1.0
  Cr  Cr1  4  0.31  0.46  0.77  1.0
  Ag  Ag2  2  0.0  0.0  0.0  1.0

Tl Cr Cr Ag