data_[Ca2Mn1Ag1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0843]
_cell_length_b [8.0769]
_cell_length_c [6.4635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2MnAgCl8]
_chemical_formula_sum '[Ca2 Mn1 Ag1 Cl8]'
_cell_volume [317.6060]
_cell_formula_units_Z [1]
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
[
  Ca  Ca0  2  0.5000  0.2447  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  1  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.2123  0.2075  0.1470  1.0
  Cl  Cl4  2  0.2568  0.0000  0.6696  1.0
  Cl  Cl5  2  0.2829  0.5000  0.6811  1.0
]