data_TaMn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.38
_cell_angle_alpha   110.2
_cell_angle_beta   110.2
_cell_angle_gamma   39.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2Se
_chemical_formula_sum   'Ta1 Mn2 Se1'
_cell_volume   58.66
_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  0.7  0.0  0.04  1.0
  Mn  Mn0  1  0.09  0.0  0.09  1.0
  Mn  Mn1  1  0.32  0.0  0.98  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   3.2
_cell_length_b   4.38
_cell_length_c   4.78
_cell_angle_alpha   110.2
_cell_angle_beta   109.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2Se
_chemical_formula_sum   'Ta1 Mn2 Se1'
_cell_volume   58.66
_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  0.04  0.7  1.0
  Mn  Mn1  1  0.0  0.09  0.09  1.0
  Mn  Mn2  1  0.0  0.98  0.32  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Ta Mn Mn Se