data_Ta2MnAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.05
_cell_angle_alpha   99.03
_cell_angle_beta   99.03
_cell_angle_gamma   33.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MnAg
_chemical_formula_sum   'Ta2 Mn1 Ag1'
_cell_volume   66.05
_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  0.76  0.0  0.2  1.0
  Ta  Ta3  1  0.73  0.0  0.78  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.25  0.0  0.49  1.0

data_Ta2MnAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.87
_cell_length_c   5.05
_cell_angle_alpha   99.03
_cell_angle_beta   90.0
_cell_angle_gamma   106.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MnAg
_chemical_formula_sum   'Ta2 Mn1 Ag1'
_cell_volume   66.05
_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  Ta0  1  0.0  0.24  0.8  1.0
  Ta  Ta1  1  0.0  0.27  0.22  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.75  0.51  1.0

Ta Ta Mn Ag
Ta Ta Mn Ag 0 2 + o o 0 3 + o o 0 3 o o o 1 2 + o + 1 3 + o o 1 3 o o o 2 3 o o o 2 3 o o - 3 3 + - o 