data_[Zn7Cr3]
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
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [6.8852]
_cell_length_b [6.8852]
_cell_length_c [17.4592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Zn7Cr3]
_chemical_formula_sum '[Zn7 Cr3]'
_cell_volume [716.7926]
_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  6  0.2120  0.7827  0.4662  1
  Zn  Zn1  1  0.0000  0.0000  0.4450  1
  Cr  Cr2  3  0.0000  0.1693  0.5859  1
]