data_Co2ReSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   98.8
_cell_angle_beta   98.8
_cell_angle_gamma   37.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2ReSe
_chemical_formula_sum   'Co2 Re1 Se1'
_cell_volume   53.41
_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
  Co  Co0  1  0.52  0.0  0.2  1.0
  Co  Co1  1  0.19  0.0  0.2  1.0
  Re  Re2  1  0.86  0.0  0.2  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Co2ReSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   98.8
_cell_angle_beta   90.0
_cell_angle_gamma   108.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2ReSe
_chemical_formula_sum   'Co2 Re1 Se1'
_cell_volume   53.41
_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
  Co  Co0  1  0.0  0.48  0.8  1.0
  Co  Co1  1  0.0  0.81  0.8  1.0
  Re  Re2  1  0.0  0.14  0.8  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Co Co Re Se