data_Mo5As4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   7.0
_cell_angle_alpha   93.26
_cell_angle_beta   93.26
_cell_angle_gamma   152.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo5As4
_chemical_formula_sum   'Mo5 As4'
_cell_volume   154.06
_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
  Mo  Mo4  1  0.0  0.0  0.0  1.0
  Mo  Mo5  1  0.46  0.54  0.67  1.0
  Mo  Mo6  1  0.54  0.46  0.67  1.0
  Mo  Mo7  1  0.26  0.26  0.0  1.0
  Mo  Mo8  1  0.54  0.54  0.67  1.0
  As  As0  1  0.0  0.75  0.0  1.0
  As  As1  1  0.0  0.86  0.0  1.0
  As  As2  1  0.86  0.0  0.0  1.0
  As  As3  1  0.75  0.0  0.0  1.0

data_Mo5As4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.34
_cell_length_b   13.59
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   103.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mo5As4
_chemical_formula_sum   'Mo10 As8'
_cell_volume   308.12
_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
  Mo  Mo0  4  0.17  0.96  0.67  1.0
  Mo  Mo1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.13  0.0  0.67  1.0
  Mo  Mo3  2  0.24  0.5  -0.0  1.0
  As  As4  4  0.07  0.07  0.0  1.0
  As  As5  4  0.13  0.13  0.0  1.0

Mo Mo Mo Mo Mo As As As As
Mo Mo Mo Mo Mo As As As As 0 7 - o o 0 6 o - o 0 3 o o o 1 4 o o o 2 4 o o o 5 6 o o o 7 8 o o o 