data_[Zn1Cr1Sn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.9438]
_cell_length_b [4.3745]
_cell_length_c [4.5299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [ZnCrSn]
_chemical_formula_sum '[Zn1 Cr1 Sn1]'
_cell_volume [58.3357]
_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
[
  Zn  Zn0  1  0.5000  0.0000  0.0000  1
  Cr  Cr1  1  0.0000  0.5000  0.0000  1
  Sn  Sn2  1  0.5000  0.5000  0.5000  1
]