data_TaCrSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.66
_cell_angle_alpha   101.96
_cell_angle_beta   101.96
_cell_angle_gamma   40.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrSe2
_chemical_formula_sum   'Ta1 Cr1 Se2'
_cell_volume   65.44
_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  0.84  0.0  0.09  1.0
  Cr  Cr0  1  0.52  0.0  0.58  1.0
  Se  Se1  1  0.78  0.0  0.22  1.0
  Se  Se2  1  0.32  0.0  0.48  1.0

data_TaCrSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.66
_cell_length_c   4.7
_cell_angle_alpha   101.96
_cell_angle_beta   110.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrSe2
_chemical_formula_sum   'Ta1 Cr1 Se2'
_cell_volume   65.44
_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  0.09  0.84  1.0
  Cr  Cr1  1  0.0  0.58  0.52  1.0
  Se  Se2  1  0.0  0.22  0.78  1.0
  Se  Se3  1  0.0  0.48  0.32  1.0

Ta Cr Se Se