data_[Ca4Mn2As4H8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  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 [P2_1/c]
_cell_length_a [5.9545]
_cell_length_b [13.1673]
_cell_length_c [5.7917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1309]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2MnAs2(H2O5)2]
_chemical_formula_sum '[Ca4 Mn2 As4 H8 O20]'
_cell_volume [431.5542]
_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  0.4313  0.6200  0.2584  1
  Mn  Mn1  2  0.0000  0.0000  0.0000  1
  As  As2  4  0.2239  0.1221  0.5713  1
  H  H3  4  0.1061  0.7104  0.4986  1
  H  H4  4  0.3162  0.6559  0.6949  1
  O  O5  4  0.0502  0.6748  0.0021  1
  O  O6  4  0.1963  0.6431  0.5317  1
  O  O7  4  0.2473  0.0381  0.3487  1
  O  O8  4  0.2883  0.0543  0.8418  1
  O  O9  4  0.4502  0.2066  0.5826  1
]