data_[Sr1Ca1La2Zn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7876]
_cell_length_b [5.5757]
_cell_length_c [8.5615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [SrCaLa2Zn]
_chemical_formula_sum '[Sr1 Ca1 La2 Zn1]'
_cell_volume [180.8043]
_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  0.0000  0.0000  0.0982  1.0
  Ca  Ca1  1  0.0000  0.5000  0.3985  1.0
  La  La2  1  0.0000  0.5000  0.8109  1.0
  La  La3  1  0.5000  0.0000  0.6490  1.0
  Zn  Zn4  1  0.5000  0.5000  0.0983  1.0
]