data_[Sr2Ca2Nb2Cr2O12]
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
  Nb  1.6000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.5803]
_cell_length_b [5.6291]
_cell_length_c [9.6867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [SrCaNbCrO6]
_chemical_formula_sum '[Sr2 Ca2 Nb2 Cr2 O12]'
_cell_volume [248.6090]
_cell_formula_units_Z [2]
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  2  0.7538  0.2743  0.7497  1.0
  Ca  Ca1  2  0.2447  0.2111  0.2518  1.0
  Nb  Nb2  2  0.9997  0.2510  0.4998  1.0
  Cr  Cr3  2  0.5003  0.2516  0.0003  1.0
  O  O4  2  0.1886  0.0286  0.9677  1.0
  O  O5  2  0.2513  0.4583  0.4609  1.0
  O  O6  2  0.3063  0.2304  0.7495  1.0
  O  O7  2  0.6719  0.2621  0.2505  1.0
  O  O8  2  0.7503  0.0295  0.5299  1.0
  O  O9  2  0.8331  0.4605  0.0401  1.0
]