data_Na2CoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   128.27
_cell_angle_beta   128.27
_cell_angle_gamma   76.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CoSe
_chemical_formula_sum   'Na2 Co1 Se1'
_cell_volume   73.65
_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
  Na  Na1  1  0.0  0.17  0.96  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.91  1.0
  Se  Se3  1  0.17  0.0  0.96  1.0

data_Na2CoSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   4.97
_cell_angle_alpha   115.86
_cell_angle_beta   115.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CoSe
_chemical_formula_sum   'Na2 Co1 Se1'
_cell_volume   73.65
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.21  0.17  0.21  1.0
  Co  Co2  1  0.09  0.0  0.09  1.0
  Se  Se3  1  0.04  0.0  0.21  1.0

Na Na Co Se
Na Na Co Se 0 2 o o o 1 2 o o - 2 3 o o o 