data_[Sr8Mg4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4662]
_cell_length_b [16.9172]
_cell_length_c [7.7664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2MgAs2]
_chemical_formula_sum '[Sr8 Mg4 As8]'
_cell_volume [586.7863]
_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  4  0.0000  0.0368  0.7685  1.0
  Sr  Sr1  4  0.0000  0.2037  0.1078  1.0
  Mg  Mg2  4  0.0000  0.4051  0.9193  1.0
  As  As3  4  0.0000  0.1718  0.5036  1.0
  As  As4  4  0.0000  0.4397  0.5664  1.0
]