data_SrCo2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   3.92
_cell_angle_alpha   109.86
_cell_angle_beta   109.86
_cell_angle_gamma   120.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCo2Se
_chemical_formula_sum   'Sr1 Co2 Se1'
_cell_volume   81.95
_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
  Sr  Sr3  1  0.86  0.0  0.0  1.0
  Co  Co0  1  0.43  0.48  0.0  1.0
  Co  Co1  1  0.43  0.52  0.0  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_SrCo2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.15
_cell_length_c   5.79
_cell_angle_alpha   110.93
_cell_angle_beta   109.72
_cell_angle_gamma   90.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCo2Se
_chemical_formula_sum   'Sr1 Co2 Se1'
_cell_volume   81.95
_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
  Sr  Sr0  1  0.0  0.14  0.14  1.0
  Co  Co1  1  0.48  0.57  0.05  1.0
  Co  Co2  1  0.52  0.57  0.09  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Sr Co Co Se