data_[Ca4Cr4As8O28]
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
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5059]
_cell_length_b [9.1919]
_cell_length_c [9.5798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaCrAs2O7]
_chemical_formula_sum '[Ca4 Cr4 As8 O28]'
_cell_volume [618.7933]
_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  4  0.2513  0.5654  0.4332  1
  Cr  Cr1  4  0.2162  0.5497  0.8236  1
  As  As2  4  0.0232  0.2060  0.4573  1
  As  As3  4  0.4210  0.2357  0.7351  1
  O  O4  4  0.0029  0.5910  0.1890  1
  O  O5  4  0.0178  0.1158  0.9117  1
  O  O6  4  0.1453  0.6913  0.9615  1
  O  O7  4  0.2481  0.1404  0.5816  1
  O  O8  4  0.3484  0.0875  0.2207  1
  O  O9  4  0.3732  0.7294  0.8031  1
  O  O10  4  0.4341  0.1369  0.8888  1
]