data_[Ca6Sb4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4959]
_cell_length_b [6.8341]
_cell_length_c [7.8284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2977]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca3(SbH)2]
_chemical_formula_sum '[Ca6 Sb4 H4]'
_cell_volume [323.7976]
_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  0.4064  0.6814  0.3052  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb2  4  0.1730  0.0674  0.4359  1.0
  H  H3  4  0.3649  0.5844  0.5762  1.0
]