data_CoSn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   132.15
_cell_angle_beta   132.15
_cell_angle_gamma   69.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSn2Se
_chemical_formula_sum   'Co1 Sn2 Se1'
_cell_volume   85.37
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.43  1.0
  Sn  Sn3  1  0.0  0.19  0.22  1.0
  Se  Se1  1  0.19  0.0  0.22  1.0

data_CoSn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.41
_cell_angle_alpha   113.92
_cell_angle_beta   113.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSn2Se
_chemical_formula_sum   'Co1 Sn2 Se1'
_cell_volume   85.37
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.02  0.22  0.02  1.0
  Sn  Sn2  1  0.43  0.43  0.43  1.0
  Se  Se3  1  0.22  0.02  0.02  1.0

Co Sn Sn Se