data_Sr2CuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   122.27
_cell_angle_beta   118.0
_cell_angle_gamma   89.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CuSe
_chemical_formula_sum   'Sr2 Cu1 Se1'
_cell_volume   113.0
_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  0.0  0.8  0.91  1.0
  Sr  Sr3  1  0.62  0.0  0.94  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.85  1.0

data_Sr2CuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.25
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   62.0
_cell_angle_beta   61.14
_cell_angle_gamma   61.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CuSe
_chemical_formula_sum   'Sr2 Cu1 Se1'
_cell_volume   113.0
_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  0.31  0.62  0.06  1.0
  Sr  Sr1  1  0.91  0.0  0.89  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.85  -0.0  0.15  1.0

Sr Sr Cu Se