data_[La4Zn1P1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5547]
_cell_length_b [4.2493]
_cell_length_c [7.7652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4ZnPBr2]
_chemical_formula_sum '[La4 Zn1 P1 Br2]'
_cell_volume [236.6352]
_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
[
  La  La0  2  0.2513  0.5000  0.2260  1.0
  La  La1  2  0.2725  0.0000  0.7829  1.0
  Zn  Zn2  1  0.0000  0.0000  0.0000  1.0
  P  P3  1  0.5000  0.5000  0.0000  1.0
  Br  Br4  1  0.0000  0.5000  0.5000  1.0
  Br  Br5  1  0.5000  0.0000  0.5000  1.0
]