data_[Mn2Ag6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.1997]
_cell_length_b [7.8674]
_cell_length_c [19.4613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mn(AgAs)3]
_chemical_formula_sum '[Mn2 Ag6 As6]'
_cell_volume [796.1215]
_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
[
  Mn  Mn0  2  0.4060  0.0000  0.4818  1
  Ag  Ag1  4  0.0589  0.1757  0.5767  1
  Ag  Ag2  2  0.0355  0.5000  0.6207  1
  As  As3  4  0.4161  0.2248  0.3915  1
  As  As4  2  0.3964  0.5000  0.4610  1
]