data_TaMn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   144.18
_cell_angle_beta   130.78
_cell_angle_gamma   62.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2Se
_chemical_formula_sum   'Ta1 Mn2 Se1'
_cell_volume   54.76
_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  Ta3  1  0.0  0.08  0.11  1.0
  Mn  Mn0  1  0.0  0.0  0.07  1.0
  Mn  Mn1  1  0.54  0.0  0.22  1.0
  Se  Se2  1  0.0  0.0  0.16  1.0

data_TaMn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.16
_cell_length_c   5.0
_cell_angle_alpha   114.61
_cell_angle_beta   107.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2Se
_chemical_formula_sum   'Ta1 Mn2 Se1'
_cell_volume   54.76
_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  0.92  0.02  0.02  1.0
  Mn  Mn1  1  0.0  0.07  0.07  1.0
  Mn  Mn2  1  0.0  0.22  0.68  1.0
  Se  Se3  1  0.0  0.16  0.16  1.0

Ta Mn Mn Se