data_[Ca4Mg2As6H14O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7596]
_cell_length_b [7.2384]
_cell_length_c [11.6306]
_cell_angle_alpha [83.0764]
_cell_angle_beta [84.5549]
_cell_angle_gamma [79.6424]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca2MgAs3(HO2)7]
_chemical_formula_sum '[Ca4 Mg2 As6 H14 O28]'
_cell_volume [554.1502]
_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  2  0.0841  0.3108  0.6210  1
  Ca  Ca1  2  0.3670  0.3244  0.3150  1
  Mg  Mg2  2  0.3033  0.4179  0.8568  1
  As  As3  2  0.1018  0.7695  0.6618  1
  As  As4  2  0.1914  0.6600  0.0892  1
  As  As5  2  0.4493  0.7704  0.3752  1
  H  H6  2  0.0048  0.7486  0.8585  1
  H  H7  2  0.1504  0.9647  0.1570  1
  H  H8  2  0.2586  0.1025  0.9969  1
  H  H9  2  0.2599  0.9982  0.4762  1
  H  H10  2  0.3365  0.8063  0.8707  1
  H  H11  2  0.3994  0.1998  0.0581  1
  H  H12  2  0.4145  0.0020  0.8093  1
  O  O13  2  0.0119  0.3827  0.8204  1
  O  O14  2  0.0317  0.3436  0.4169  1
  O  O15  2  0.0653  0.1826  0.2130  1
  O  O16  2  0.1574  0.9800  0.6008  1
  O  O17  2  0.1747  0.6488  0.9444  1
  O  O18  2  0.2033  0.9028  0.0858  1
  O  O19  2  0.2638  0.6491  0.3591  1
  O  O20  2  0.3032  0.6090  0.7060  1
  O  O21  2  0.3052  0.2242  0.9940  1
  O  O22  2  0.3280  0.0043  0.3929  1
  O  O23  2  0.3861  0.2095  0.7454  1
  O  O24  2  0.4037  0.3083  0.5138  1
  O  O25  2  0.4071  0.5257  0.1348  1
  O  O26  2  0.4546  0.8627  0.8359  1
]