data_[Cu2As2Os4]
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 [8.6195]
_cell_length_b [2.8778]
_cell_length_c [4.6903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CuAsOs2]
_chemical_formula_sum '[Cu2 As2 Os4]'
_cell_volume [115.0234]
_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  0.2460  0.5000  0.2583  1
  As  As1  2  0.4988  0.0000  0.4643  1
  Os  Os2  2  0.2560  0.0000  0.7709  1
  Os  Os3  2  0.4992  0.5000  0.0065  1
]