data_Ta2MnSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   143.23
_cell_angle_beta   132.46
_cell_angle_gamma   61.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MnSi
_chemical_formula_sum   'Ta2 Mn1 Si1'
_cell_volume   60.9
_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  0.64  0.0  0.04  1.0
  Ta  Ta3  1  0.0  0.0  0.37  1.0
  Mn  Mn0  1  0.0  0.09  0.02  1.0
  Si  Si1  1  0.0  0.0  0.48  1.0

data_Ta2MnSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.18
_cell_length_c   5.19
_cell_angle_alpha   113.77
_cell_angle_beta   108.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MnSi
_chemical_formula_sum   'Ta2 Mn1 Si1'
_cell_volume   60.9
_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  0.59  0.96  0.59  1.0
  Ta  Ta1  1  0.63  0.63  0.63  1.0
  Mn  Mn2  1  0.98  0.07  0.07  1.0
  Si  Si3  1  0.52  0.52  0.52  1.0

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