data_FeAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   95.62
_cell_angle_beta   95.62
_cell_angle_gamma   143.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAs4
_chemical_formula_sum   'Fe1 As4'
_cell_volume   105.65
_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
  Fe  Fe4  1  0.0  0.0  0.0  1.0
  As  As0  1  0.65  0.07  0.0  1.0
  As  As1  1  0.07  0.03  0.0  1.0
  As  As2  1  0.19  0.77  0.79  1.0
  As  As3  1  0.77  0.81  0.79  1.0

data_FeAs4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   84.38
_cell_angle_beta   71.77
_cell_angle_gamma   71.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAs4
_chemical_formula_sum   'Fe1 As4'
_cell_volume   105.65
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.03  0.04  -0.0  1.0
  As  As2  1  0.07  0.58  -0.0  1.0
  As  As3  1  0.77  0.42  0.21  1.0
  As  As4  1  0.81  0.96  0.21  1.0

Fe As As As As