data_[Ca10V2H4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.9146]
_cell_length_b [9.4114]
_cell_length_c [5.7426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ca5V(HN2)2]
_chemical_formula_sum '[Ca10 V2 H4 N8]'
_cell_volume [373.7049]
_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  8  0.2267  0.1781  0.8972  1
  Ca  Ca1  2  0.5000  0.0000  0.4031  1
  V  V2  2  0.0000  0.0000  0.4069  1
  H  H3  4  0.5000  0.2232  0.1876  1
  N  N4  4  0.0000  0.1595  0.2172  1
  N  N5  4  0.2127  0.0000  0.5986  1
]