# generated using pymatgen
data_CoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45630823
_cell_length_b   5.21903758
_cell_length_c   5.85275010
_cell_angle_alpha   90.00118226
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00023773
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAs
_chemical_formula_sum   'Co4 As4'
_cell_volume   105.57543281
_cell_formula_units_Z   4
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  0.76080100  0.50126553  0.70467711  1.0
  Co  Co1  1  0.76080100  0.00126880  0.79531622  1.0
  Co  Co2  1  0.26079900  0.49873441  0.29534804  1.0
  Co  Co3  1  0.26079900  -0.00126343  0.20466227  1.0
  As  As4  1  0.76079900  0.79685506  0.41403924  1.0
  As  As5  1  0.26080100  0.70311229  0.91400049  1.0
  As  As6  1  0.26080100  0.20314108  0.58599784  1.0
  As  As7  1  0.76079900  0.29688726  0.08595879  1.0