data_[Mo4As2P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.4384]
_cell_length_b [3.1739]
_cell_length_c [5.0925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mo2AsP3]
_chemical_formula_sum '[Mo4 As2 P6]'
_cell_volume [184.8578]
_cell_formula_units_Z [2]
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  Mo0  2  0.0908  0.0000  0.0078  1.0
  Mo  Mo1  2  0.4081  0.5000  0.4975  1.0
  As  As2  2  0.2041  0.5000  0.7006  1.0
  P  P3  2  0.0654  0.5000  0.3738  1.0
  P  P4  2  0.3003  0.0000  0.1961  1.0
  P  P5  2  0.4313  0.0000  0.8822  1.0
]