data_HfMn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   136.29
_cell_angle_beta   132.31
_cell_angle_gamma   66.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2As
_chemical_formula_sum   'Hf1 Mn2 As1'
_cell_volume   61.63
_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  0.0  0.0  0.15  1.0
  Mn  Mn2  1  0.85  0.0  0.06  1.0
  Mn  Mn3  1  0.0  0.01  0.09  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_HfMn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.02
_cell_length_c   4.97
_cell_angle_alpha   113.84
_cell_angle_beta   111.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2As
_chemical_formula_sum   'Hf1 Mn2 As1'
_cell_volume   61.63
_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  0.85  0.85  0.85  1.0
  Mn  Mn1  1  0.79  0.94  0.79  1.0
  Mn  Mn2  1  0.91  0.92  0.92  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Hf Mn Mn As