data_[Zn4Mo2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Mo  2.1600  1.4500  0.7750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9589]
_cell_length_b [6.4079]
_cell_length_c [20.5547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [113.3532]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Zn2MoAs3]
_chemical_formula_sum '[Zn4 Mo2 As6]'
_cell_volume [720.5615]
_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
[
  Zn  Zn0  1  0.1039  0.0848  0.6249  1
  Zn  Zn1  1  0.2866  0.4746  0.5678  1
  Zn  Zn2  1  0.6676  0.8854  0.5763  1
  Zn  Zn3  1  0.8415  0.3434  0.6047  1
  Mo  Mo4  1  0.0873  0.7682  0.5425  1
  Mo  Mo5  1  0.4388  0.1430  0.5343  1
  As  As6  1  0.1436  0.0380  0.4398  1
  As  As7  1  0.1543  0.6403  0.4286  1
  As  As8  1  0.5683  0.7119  0.3879  1
  As  As9  1  0.6569  0.5647  0.4957  1
  As  As10  1  0.7166  0.0937  0.4430  1
  As  As11  1  0.8745  0.3712  0.3547  1
]