data_TaMn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   3.04
_cell_angle_alpha   105.8
_cell_angle_beta   105.8
_cell_angle_gamma   117.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2Se
_chemical_formula_sum   'Ta1 Mn2 Se1'
_cell_volume   61.21
_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  0.68  0.0  0.0  1.0
  Mn  Mn0  1  0.54  0.79  0.29  1.0
  Mn  Mn1  1  0.54  0.21  0.29  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_TaMn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.57
_cell_length_c   5.17
_cell_angle_alpha   115.31
_cell_angle_beta   105.8
_cell_angle_gamma   92.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2Se
_chemical_formula_sum   'Ta1 Mn2 Se1'
_cell_volume   61.21
_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  0.0  0.0  0.68  1.0
  Mn  Mn1  1  0.09  0.79  0.33  1.0
  Mn  Mn2  1  0.5  0.21  0.75  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Ta Mn Mn Se