data_HfCrAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   131.23
_cell_angle_beta   114.7
_cell_angle_gamma   85.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrAs2
_chemical_formula_sum   'Hf1 Cr1 As2'
_cell_volume   69.9
_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  0.0  0.48  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.56  0.91  1.0
  As  As1  1  0.96  0.0  0.57  1.0

data_HfCrAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   65.3
_cell_angle_beta   65.62
_cell_angle_gamma   65.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrAs2
_chemical_formula_sum   'Hf1 Cr1 As2'
_cell_volume   69.9
_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  0.0  -0.0  0.48  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.0  0.04  0.57  1.0
  As  As3  1  0.56  -0.0  0.35  1.0

Hf Cr As As