data_Sr2CoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   7.36
_cell_angle_alpha   93.98
_cell_angle_beta   93.98
_cell_angle_gamma   84.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CoSe
_chemical_formula_sum   'Sr2 Co1 Se1'
_cell_volume   105.08
_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  Sr2  1  0.63  0.0  0.84  1.0
  Sr  Sr3  1  0.28  0.0  0.49  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.65  0.0  0.66  1.0

data_Sr2CoSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   7.36
_cell_angle_alpha   86.02
_cell_angle_beta   86.02
_cell_angle_gamma   84.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CoSe
_chemical_formula_sum   'Sr2 Co1 Se1'
_cell_volume   105.08
_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  0.37  0.0  0.84  1.0
  Sr  Sr1  1  0.72  0.0  0.49  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.35  0.0  0.66  1.0

Sr Sr Co Se
Sr Sr Co Se 0 3 o o o 0 2 + o + 1 3 o o o 