data_AsRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   4.45
_cell_angle_alpha   112.07
_cell_angle_beta   112.07
_cell_angle_gamma   33.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsRh3
_chemical_formula_sum   'As1 Rh3'
_cell_volume   58.03
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.01  0.0  0.05  1.0
  Rh  Rh2  1  0.39  0.0  0.18  1.0
  Rh  Rh3  1  0.64  0.0  0.92  1.0

data_AsRh3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.45
_cell_length_c   5.1
_cell_angle_alpha   112.07
_cell_angle_beta   106.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsRh3
_chemical_formula_sum   'As1 Rh3'
_cell_volume   58.03
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.05  0.01  1.0
  Rh  Rh2  1  0.0  0.18  0.39  1.0
  Rh  Rh3  1  0.0  0.92  0.64  1.0

As Rh Rh Rh
As Rh Rh Rh 0 1 o o o 0 2 o o o 0 3 - o - 1 2 o o o 1 3 - o - 2 3 o o - 