data_[Sr4Sb1As1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9945]
_cell_length_b [4.6908]
_cell_length_c [8.1565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr4SbAsBr2]
_chemical_formula_sum '[Sr4 Sb1 As1 Br2]'
_cell_volume [287.5523]
_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  2  0.2808  0.0000  0.7492  1.0
  Sr  Sr1  2  0.2848  0.5000  0.2702  1.0
  Sb  Sb2  1  0.5000  0.5000  0.0000  1.0
  As  As3  1  0.5000  0.0000  0.5000  1.0
  Br  Br4  1  0.0000  0.0000  0.0000  1.0
  Br  Br5  1  0.0000  0.5000  0.5000  1.0
]