data_[Sr1Ca1B5H2Cl1O10]
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
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4461]
_cell_length_b [6.5479]
_cell_length_c [6.6862]
_cell_angle_alpha [75.7071]
_cell_angle_beta [61.2365]
_cell_angle_gamma [60.8084]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrCaB5H2ClO10]
_chemical_formula_sum '[Sr1 Ca1 B5 H2 Cl1 O10]'
_cell_volume [215.9449]
_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
[
  Sr  Sr0  1  0.7119  0.3499  0.2832  1.0
  Ca  Ca1  1  0.5775  0.8325  0.7435  1.0
  B  B2  1  0.0414  0.3552  0.6233  1.0
  B  B3  1  0.0624  0.9491  0.7357  1.0
  B  B4  1  0.1796  0.5084  0.8324  1.0
  B  B5  1  0.2812  0.3974  0.1712  1.0
  B  B6  1  0.6431  0.2785  0.7754  1.0
  H  H7  1  0.5875  0.9416  0.2900  1.0
  H  H8  1  0.8815  0.7762  0.2360  1.0
  Cl  Cl9  1  0.3354  0.8738  0.2068  1.0
  O  O10  1  0.0870  0.4804  0.0957  1.0
  O  O11  1  0.1595  0.1077  0.7018  1.0
  O  O12  1  0.2212  0.7243  0.7708  1.0
  O  O13  1  0.2385  0.3822  0.3939  1.0
  O  O14  1  0.4361  0.3142  0.7203  1.0
  O  O15  1  0.5403  0.3401  0.0153  1.0
  O  O16  1  0.7305  0.9144  0.3280  1.0
  O  O17  1  0.7935  0.4114  0.6154  1.0
  O  O18  1  0.8180  0.0211  0.7470  1.0
  O  O19  1  0.9786  0.5172  0.7846  1.0
]