data_[Sr2As4]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.5964]
_cell_length_b [3.9626]
_cell_length_c [8.8345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrAs2]
_chemical_formula_sum '[Sr2 As4]'
_cell_volume [158.0441]
_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
[
  Sr  Sr0  2  0.4169  0.7500  0.2804  1.0
  As  As1  2  0.0357  0.7500  0.5926  1.0
  As  As2  2  0.1654  0.2500  0.9809  1.0
]