data_LiTa2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Mn
_chemical_formula_sum   'Li1 Ta2 Mn1'
_cell_volume   65.26
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.57  0.0  0.52  1.0
  Ta  Ta3  1  0.57  0.0  0.54  1.0
  Mn  Mn1  1  0.0  0.0  0.53  1.0

data_LiTa2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Mn
_chemical_formula_sum   'Li1 Ta2 Mn1'
_cell_volume   65.26
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.57  0.0  0.52  1.0
  Ta  Ta2  1  0.57  0.0  0.54  1.0
  Mn  Mn3  1  0.0  0.0  0.53  1.0

Li Ta Ta Mn