data_[Sr1Ni3As3]
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 [Pm]
_cell_length_a [4.7382]
_cell_length_b [4.0033]
_cell_length_c [19.2235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sr(NiAs)3]
_chemical_formula_sum '[Sr1 Ni3 As3]'
_cell_volume [364.6374]
_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
[
  Sr  Sr0  1  0.7558  0.5000  0.6133  1
  Ni  Ni1  1  0.2584  0.5000  0.5184  1
  Ni  Ni2  1  0.4784  0.0000  0.4576  1
  Ni  Ni3  1  0.8028  0.5000  0.4383  1
  As  As4  1  0.2608  0.0000  0.6005  1
  As  As5  1  0.3392  0.5000  0.3936  1
  As  As6  1  0.9814  0.0000  0.4782  1
]