data_[Ca6Mn4Sn6]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2473]
_cell_length_b [3.8196]
_cell_length_c [5.6152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Mn2Sn3]
_chemical_formula_sum '[Ca6 Mn4 Sn6]'
_cell_volume [396.6753]
_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
[
  Ca  Ca0  4  0.1618  0.0000  0.5381  1
  Ca  Ca1  2  0.0000  0.0000  0.0000  1
  Mn  Mn2  4  0.2357  0.0000  0.0691  1
  Sn  Sn3  4  0.1351  0.5000  0.0108  1
  Sn  Sn4  2  0.0000  0.5000  0.5000  1
]