data_TaMoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.54
_cell_length_c   3.02
_cell_angle_alpha   81.73
_cell_angle_beta   72.16
_cell_angle_gamma   26.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMoSe
_chemical_formula_sum   'Ta1 Mo1 Se1'
_cell_volume   53.46
_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  Ta2  1  0.69  0.51  0.25  1.0
  Mo  Mo0  1  0.69  0.51  0.57  1.0
  Se  Se1  1  0.69  0.51  0.45  1.0

data_TaMoSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.37
_cell_length_b   12.64
_cell_length_c   3.02
_cell_angle_alpha   90.0
_cell_angle_beta   123.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaMoSe
_chemical_formula_sum   'Ta2 Mo2 Se2'
_cell_volume   106.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.19  0.5  0.93  1.0
  Mo  Mo1  2  0.19  0.5  0.26  1.0
  Se  Se2  2  0.19  0.5  0.14  1.0

Ta Mo Se
Ta Mo Se 0 2 o o o 1 2 o o o 