data_[Sr4Ca2Os2N8]
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
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7574]
_cell_length_b [7.0621]
_cell_length_c [5.5710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Sr2CaOsN4]
_chemical_formula_sum '[Sr4 Ca2 Os2 N8]'
_cell_volume [305.1999]
_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
[
  Sr  Sr0  4  0.2459  0.6683  0.9580  1.0
  Ca  Ca1  2  0.0000  0.8539  0.4717  1.0
  Os  Os2  2  0.0000  0.1622  0.0075  1.0
  N  N3  4  0.2007  0.2924  0.9255  1.0
  N  N4  2  0.0000  0.1559  0.3415  1.0
  N  N5  2  0.0000  0.9093  0.9123  1.0
]