data_[Zn3Cr3As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7247]
_cell_length_b [5.2783]
_cell_length_c [19.8702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.8140]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Zn3Cr3As4]
_chemical_formula_sum '[Zn3 Cr3 As4]'
_cell_volume [495.4773]
_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
[
  Zn  Zn0  1  0.0932  0.9835  0.3940  1
  Zn  Zn1  1  0.1562  0.4989  0.6101  1
  Zn  Zn2  1  0.5790  0.1222  0.3677  1
  Cr  Cr3  1  0.3907  0.4646  0.4781  1
  Cr  Cr4  1  0.8853  0.7706  0.5123  1
  Cr  Cr5  1  0.8933  0.2281  0.5129  1
  As  As6  1  0.1072  0.9959  0.6128  1
  As  As7  1  0.4042  0.9744  0.5086  1
  As  As8  1  0.6511  0.4881  0.5962  1
  As  As9  1  0.9030  0.5046  0.4073  1
]