data_[Sr4Ca4Tm4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Tm  1.2500  1.7500  1.0950
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4536]
_cell_length_b [17.9503]
_cell_length_c [7.2419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SrCaTmAs2]
_chemical_formula_sum '[Sr4 Ca4 Tm4 As8]'
_cell_volume [578.9357]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.0000  0.3045  0.0602  1
  Ca  Ca1  4  0.0000  0.4691  0.7649  1
  Tm  Tm2  4  0.0000  0.1010  0.9271  1
  As  As3  4  0.0000  0.0517  0.5556  1
  As  As4  4  0.0000  0.3208  0.5577  1
]