data_[Cu2Ni1Sn1O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.4215]
_cell_length_b [3.2045]
_cell_length_c [6.0857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cu2NiSnO4]
_chemical_formula_sum '[Cu2 Ni1 Sn1 O4]'
_cell_volume [100.8283]
_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
[
  Cu  Cu0  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  1  0.5000  0.5000  0.0000  1.0
  Ni  Ni2  1  0.5000  0.0000  0.5000  1.0
  Sn  Sn3  1  0.0000  0.5000  0.5000  1.0
  O  O4  2  0.1055  0.0000  0.3178  1.0
  O  O5  2  0.3893  0.5000  0.6787  1.0
]