data_[Mn1Co1Cu4Sn2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4331]
_cell_length_b [6.6734]
_cell_length_c [10.1795]
_cell_angle_alpha [90.2504]
_cell_angle_beta [105.4695]
_cell_angle_gamma [113.9909]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnCoCu4(SnS4)2]
_chemical_formula_sum '[Mn1 Co1 Cu4 Sn2 S8]'
_cell_volume [322.3050]
_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
[
  Mn  Mn0  1  0.6247  0.3733  0.8753  1.0
  Co  Co1  1  0.1256  0.8773  0.3748  1.0
  Cu  Cu2  1  0.3825  0.6292  0.1301  1.0
  Cu  Cu3  1  0.5012  0.5025  0.4960  1.0
  Cu  Cu4  1  0.8684  0.1205  0.6206  1.0
  Cu  Cu5  1  0.9976  0.9969  0.0038  1.0
  Sn  Sn6  1  0.2449  0.7487  0.7462  1.0
  Sn  Sn7  1  0.7548  0.2517  0.2537  1.0
  S  S8  1  0.0685  0.6912  0.9492  1.0
  S  S9  1  0.2093  0.5883  0.3168  1.0
  S  S10  1  0.3058  0.4210  0.6773  1.0
  S  S11  1  0.4177  0.3145  0.0598  1.0
  S  S12  1  0.5425  0.1805  0.4464  1.0
  S  S13  1  0.7123  0.0663  0.8137  1.0
  S  S14  1  0.8222  0.9216  0.1892  1.0
  S  S15  1  0.9220  0.8163  0.5469  1.0
]