data_HfCoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   146.03
_cell_angle_beta   144.59
_cell_angle_gamma   49.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoAs2
_chemical_formula_sum   'Hf1 Co1 As2'
_cell_volume   65.79
_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
  Hf  Hf3  1  0.0  0.79  0.25  1.0
  Co  Co2  1  0.0  0.0  0.95  1.0
  As  As0  1  0.0  0.0  0.25  1.0
  As  As1  1  0.72  0.0  0.23  1.0

data_HfCoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.58
_cell_length_c   5.89
_cell_angle_alpha   107.71
_cell_angle_beta   106.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoAs2
_chemical_formula_sum   'Hf1 Co1 As2'
_cell_volume   65.79
_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
  Hf  Hf0  1  0.21  0.46  0.46  1.0
  Co  Co1  1  0.0  0.95  0.95  1.0
  As  As2  1  0.0  0.23  0.51  1.0
  As  As3  1  0.0  0.25  0.25  1.0

Hf Co As As