data_[Sm2Ag2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5994]
_cell_length_b [5.4762]
_cell_length_c [18.8157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SmAgAs2]
_chemical_formula_sum '[Sm2 Ag2 As4]'
_cell_volume [576.9555]
_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
[
  Sm  Sm0  1  0.5885  0.5000  0.5715  1
  Sm  Sm1  1  0.8564  0.0000  0.4507  1
  Ag  Ag2  1  0.0800  0.5000  0.5215  1
  Ag  Ag3  1  0.2184  0.0000  0.5865  1
  As  As4  2  0.3896  0.2611  0.4325  1
  As  As5  1  0.7360  0.0000  0.6038  1
  As  As6  1  0.7943  0.5000  0.4010  1
]