data_[Mn2Cu1Sb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.7986]
_cell_length_b [3.7986]
_cell_length_c [7.7933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Mn2CuSb3]
_chemical_formula_sum '[Mn2 Cu1 Sb3]'
_cell_volume [112.4549]
_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  2  0.0000  0.5000  0.7392  1.0
  Cu  Cu1  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb2  2  0.0000  0.5000  0.3726  1.0
  Sb  Sb3  1  0.5000  0.5000  0.0000  1.0
]