data_CoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   3.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAs2
_chemical_formula_sum   'Co2 As4'
_cell_volume   103.6
_cell_formula_units_Z   2
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  Co4  1  0.0  0.0  0.0  1.0
  Co  Co5  1  0.69  0.69  0.8  1.0
  As  As0  1  0.61  0.61  0.0  1.0
  As  As1  1  0.76  0.76  0.0  1.0
  As  As2  1  0.3  0.07  0.8  1.0
  As  As3  1  0.07  0.3  0.8  1.0

data_CoAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.6
_cell_length_b   7.6
_cell_length_c   3.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoAs2
_chemical_formula_sum   'Co4 As8'
_cell_volume   207.19
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.19  0.5  0.8  1.0
  As  As2  4  0.19  0.11  0.8  1.0
  As  As3  2  0.11  0.5  0.0  1.0
  As  As4  2  0.26  0.5  0.0  1.0

Co Co As As As As