data_YTa2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.85
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   101.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Mn
_chemical_formula_sum   'Y1 Ta2 Mn1'
_cell_volume   77.78
_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
  Y  Y3  1  0.32  0.0  0.25  1.0
  Ta  Ta1  1  0.95  0.92  0.21  1.0
  Ta  Ta2  1  0.81  0.92  0.29  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0

data_YTa2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.85
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   101.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Mn
_chemical_formula_sum   'Y1 Ta2 Mn1'
_cell_volume   77.78
_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
  Y  Y0  1  0.32  0.0  0.25  1.0
  Ta  Ta1  1  0.81  0.92  0.29  1.0
  Ta  Ta2  1  0.95  0.92  0.21  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0

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