data_TaMnAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   144.4
_cell_angle_beta   144.4
_cell_angle_gamma   51.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnAg
_chemical_formula_sum   'Ta1 Mn1 Ag1'
_cell_volume   48.23
_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
  Ta  Ta2  1  0.0  0.0  0.51  1.0
  Mn  Mn1  1  0.0  0.0  0.97  1.0
  Ag  Ag0  1  0.0  0.0  0.39  1.0

data_TaMnAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   115.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaMnAg
_chemical_formula_sum   'Ta2 Mn2 Ag2'
_cell_volume   96.45
_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
  Ta  Ta0  2  0.0  0.0  0.49  1.0
  Mn  Mn1  2  0.0  0.0  0.03  1.0
  Ag  Ag2  2  0.0  0.0  0.61  1.0

Ta Mn Ag
Ta Mn Ag 0 2 o o o 0 1 o o o 1 2 o o + 