data_YTaMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   5.81
_cell_angle_alpha   100.47
_cell_angle_beta   100.47
_cell_angle_gamma   42.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaMn2
_chemical_formula_sum   'Y1 Ta1 Mn2'
_cell_volume   71.15
_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  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.45  0.0  0.85  1.0
  Mn  Mn0  1  0.15  0.0  0.86  1.0
  Mn  Mn1  1  0.76  0.0  0.84  1.0

data_YTaMn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.31
_cell_length_c   5.81
_cell_angle_alpha   100.47
_cell_angle_beta   90.0
_cell_angle_gamma   111.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaMn2
_chemical_formula_sum   'Y1 Ta1 Mn2'
_cell_volume   71.15
_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  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.55  0.15  1.0
  Mn  Mn2  1  0.0  0.24  0.16  1.0
  Mn  Mn3  1  0.0  0.85  0.14  1.0

Y Ta Mn Mn