data_[Ca4Cr2B4O12]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3862]
_cell_length_b [5.0735]
_cell_length_c [5.8824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Cr(BO3)2]
_chemical_formula_sum '[Ca4 Cr2 B4 O12]'
_cell_volume [248.2293]
_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
[
  Ca  Ca0  4  0.2044  0.5000  0.1887  1.0
  Cr  Cr1  2  0.0000  0.5000  0.5000  1.0
  B  B2  4  0.0297  0.0000  0.2549  1.0
  O  O3  8  0.0599  0.2337  0.7949  1.0
  O  O4  4  0.1923  0.0000  0.3528  1.0
]