data_[Sr1As2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7217]
_cell_length_b [6.0030]
_cell_length_c [6.0305]
_cell_angle_alpha [102.1406]
_cell_angle_beta [92.2457]
_cell_angle_gamma [107.9491]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr(AsS2)2]
_chemical_formula_sum '[Sr1 As2 S4]'
_cell_volume [191.4395]
_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  0.8045  0.5671  0.2607  1.0
  As  As1  1  0.2248  0.4310  0.7206  1.0
  As  As2  1  0.5654  0.9993  0.5581  1.0
  S  S3  1  0.1671  0.0256  0.6352  1.0
  S  S4  1  0.2921  0.5232  0.3791  1.0
  S  S5  1  0.6247  0.0161  0.2045  1.0
  S  S6  1  0.8214  0.4377  0.7417  1.0
]