data_FeCo2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   135.53
_cell_angle_beta   135.53
_cell_angle_gamma   64.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2Se
_chemical_formula_sum   'Fe1 Co2 Se1'
_cell_volume   49.72
_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
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.96  1.0
  Co  Co1  1  0.0  0.77  0.98  1.0
  Se  Se3  1  0.77  0.0  0.98  1.0

data_FeCo2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   4.68
_cell_angle_alpha   112.24
_cell_angle_beta   112.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2Se
_chemical_formula_sum   'Fe1 Co2 Se1'
_cell_volume   49.72
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.04  0.0  0.04  1.0
  Co  Co2  1  0.79  0.77  0.79  1.0
  Se  Se3  1  0.02  0.0  0.79  1.0

Fe Co Co Se