data_[Cu2As4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1173]
_cell_length_b [3.0760]
_cell_length_c [6.1763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3079]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CuAs2Os]
_chemical_formula_sum '[Cu2 As4 Os2]'
_cell_volume [145.5403]
_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
[
  Cu  Cu0  2  0.4842  0.0000  0.4955  1
  As  As1  2  0.0191  0.0000  0.8942  1
  As  As2  2  0.2299  0.5000  0.3810  1
  Os  Os3  2  0.2668  0.0000  0.7293  1
]