data_HfCoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   136.49
_cell_angle_beta   136.49
_cell_angle_gamma   63.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoAs2
_chemical_formula_sum   'Hf1 Co1 As2'
_cell_volume   64.4
_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  0.91  0.0  0.2  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.4  1.0
  As  As1  1  0.0  0.91  0.2  1.0

data_HfCoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   5.16
_cell_angle_alpha   111.76
_cell_angle_beta   111.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoAs2
_chemical_formula_sum   'Hf1 Co1 As2'
_cell_volume   64.4
_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  0.8  0.0  0.72  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.6  0.0  0.6  1.0
  As  As3  1  0.72  0.91  0.72  1.0

Hf Co As As