data_CoAs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   152.36
_cell_angle_beta   136.69
_cell_angle_gamma   52.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAs2Se
_chemical_formula_sum   'Co1 As2 Se1'
_cell_volume   69.32
_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  Co2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.44  0.0  0.97  1.0
  As  As1  1  0.0  0.22  0.44  1.0
  Se  Se3  1  0.0  0.0  0.41  1.0

data_CoAs2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.45
_cell_length_c   6.03
_cell_angle_alpha   111.65
_cell_angle_beta   103.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAs2Se
_chemical_formula_sum   'Co1 As2 Se1'
_cell_volume   69.32
_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
  As  As1  1  0.47  0.03  0.47  1.0
  As  As2  1  0.56  0.78  0.78  1.0
  Se  Se3  1  0.59  0.59  0.59  1.0

Co As As Se