data_[Sr12Ni8As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2664]
_cell_length_b [11.5664]
_cell_length_c [14.7756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3Ni2As3]
_chemical_formula_sum '[Sr12 Ni8 As12]'
_cell_volume [729.1245]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  8  0.0000  0.0770  0.6049  1.0
  Sr  Sr1  4  0.0000  0.3551  0.7500  1.0
  Ni  Ni2  8  0.0000  0.2225  0.0932  1.0
  As  As3  8  0.0000  0.3474  0.5429  1.0
  As  As4  4  0.0000  0.3353  0.2500  1.0
]