data_[Ca8Cr8Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cr  1.6600  1.4000  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5304]
_cell_length_b [5.9849]
_cell_length_c [8.5228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2Cr2Sn]
_chemical_formula_sum '[Ca8 Cr8 Sn4]'
_cell_volume [475.4758]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  8  0.1445  0.3519  0.6461  1
  Cr  Cr1  8  0.1688  0.1718  1.0000  1
  Sn  Sn2  4  0.0000  0.1297  0.2500  1
]