data_HfMnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.23
_cell_length_c   3.22
_cell_angle_alpha   73.71
_cell_angle_beta   70.73
_cell_angle_gamma   35.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnAs
_chemical_formula_sum   'Hf1 Mn1 As1'
_cell_volume   49.23
_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  Hf1  1  0.17  0.38  0.14  1.0
  Mn  Mn2  1  0.17  0.38  0.16  1.0
  As  As0  1  0.17  0.38  0.22  1.0

data_HfMnAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.35
_cell_length_b   9.52
_cell_length_c   3.22
_cell_angle_alpha   90.0
_cell_angle_beta   132.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMnAs
_chemical_formula_sum   'Hf2 Mn2 As2'
_cell_volume   98.46
_cell_formula_units_Z   2
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
  Hf  Hf0  2  0.17  0.0  0.31  1.0
  Mn  Mn1  2  0.17  0.0  0.33  1.0
  As  As2  2  0.17  0.0  0.39  1.0

Hf Mn As
Hf Mn As 0 1 o o o 1 2 o o o 