data_ZrTa2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   130.6
_cell_angle_beta   130.6
_cell_angle_gamma   72.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Se
_chemical_formula_sum   'Zr1 Ta2 Se1'
_cell_volume   75.84
_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
  Zr  Zr3  1  0.0  0.14  0.07  1.0
  Ta  Ta1  1  0.14  0.0  0.07  1.0
  Ta  Ta2  1  0.0  0.0  0.13  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_ZrTa2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   5.12
_cell_angle_alpha   114.7
_cell_angle_beta   114.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Se
_chemical_formula_sum   'Zr1 Ta2 Se1'
_cell_volume   75.84
_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
  Zr  Zr0  1  0.93  0.07  0.93  1.0
  Ta  Ta1  1  0.07  0.93  0.93  1.0
  Ta  Ta2  1  0.13  0.13  0.13  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Zr Ta Ta Se